Tootfinder

Crystalline-to-Crystalline Phase Transition between Germanium Selenide Polymorphs with High Resistance Contrast
Joonho Kim, Kihyun Lee, Joong-Eon Jung, Han Joo Lee, Seongil Im, Kwanpyo Kim
https://arxiv.org/abs/2508.17997

Crystalline-to-Crystalline Phase Transition between Germanium Selenide Polymorphs with High Resistance Contrast
Understanding phase transitions between crystalline phases of a material is crucial for both fundamental research and potential applications such as phase-change memory. In this study, we investigate the phase transition between GeSe crystalline polymorphs induced by either global annealing at moderate temperatures or localized laser-induced heating. The highly conductive gamma-GeSe transforms into semiconducting, single-crystalline alpha-GeSe while preserving a well-aligned crystal orientation…

Crystalline electric field and large anomalous Hall effect in the candidate topological material CeGaSi
Rajesh Swami, Daloo Ram, Anusree C. V, V. Kanchana, Z. Hossain
https://arxiv.org/abs/2507.20733

Crystalline electric field and large anomalous Hall effect in the candidate topological material CeGaSi
We report a comprehensive investigation of CeGaSi single crystals, including magnetic, thermodynamic, electronic, and magnetotransport properties. The powder x-ray diffraction refinement revealed that CeGaSi crystallizes in LaPtSi-type tetragonal structure with space group I41md. The electrical resistivity data show a metallic nature with a sharp drop occurring around T_m = 11 K, revealing a magnetic phase transition, which is confirmed by magnetic susceptibility and heat capacity data. The mag…

Pressure-mediated crystalline g-C3N4 with enhanced spatial charge transport for solar H2 evolution and photocathodic protection of 304 stainless steels
Xiaochun Gao, Shaoqi Hou, Dawei Su
https://arxiv.org/abs/2507.18914

Pressure-mediated crystalline g-C3N4 with enhanced spatial charge transport for solar H2 evolution and photocathodic protection of 304 stainless steels
Conjugated polymeric g-C3N4 has emerged as a leading semiconductor for solar-to-chemical energy conversion due to its unique electronic band structure, robust physicochemical stability, and environmental benignity. However, defect engineering-while effective at enhancing visible-light absorption and charge separation-often introduces excessive dangling bonds and lattice disorder, which exacerbate carrier recombination and impair light harvesting. High crystallinity offers a complementary route …

Subwavelength Phase Engineering Deep Inside Silicon
Mehmet B\"ut\"un, Alperen Saltik, Onur Tokel
https://arxiv.org/abs/2507.20824 https://arxiv.o…

Subwavelength Phase Engineering Deep Inside Silicon
Recent advances in three-dimensional laser writing have enabled direct nanostructuring deep within silicon, unlocking a volumetric design space previously inaccessible to surface-bound nanophotonic devices. Here, we introduce subwavelength phase engineering inside crystalline silicon, offering a novel strategy for integrated photonics. We design and numerically demonstrate a volumetric metaoptic monolithically embedded within the bulk, achieving full 2$π$ phase control at telecommunication wav…

An integral comparison of crystalline and de Rham cohomology
Abhinandan, Alex Youcis
https://arxiv.org/abs/2507.17631 https://arxiv.o…

An integral comparison of crystalline and de Rham cohomology
Let $\mathcal{O}_K$ be a mixed characteristic complete DVR with perfect residue field $k$ and fraction field $K$. It is a celebrated result of Berthelot and Ogus that for a smooth proper formal scheme $X/\mathcal{O}_K$ there exists a comparison between the de Rham cohomology groups $\mathrm{H}^i_\mathrm{dR}(X/\mathcal{O}_K)$ and the crystalline cohomology groups $\mathrm{H}^i_\mathrm{crys}(X_k/W(k))$ of the special fibre, after tensoring with $K$. In this article, we use the stacky perspective …

In mineralogy, a #polycrystal
(or polycrystalline material)
refers to a solid composed of multiple small, intergrown crystals (crystallites) of the same or different minerals,
arranged in a random or oriented fashion.
Unlike a single crystal, which has a continuous and unbroken atomic lattice,
a polycrystal consists of many smaller crystalline grains separated by grain bo…

Polycrystals
Mineral Matters #767

Origin of Glass-like Thermal Conductivity in Crystalline TlAgTe
Shantanu Semwal (Department of Physics, Indian Institute of Technology Kanpur, Kanpur, India), Yi Xia (Department of Mechanical and Materials Engineering, Portland State University, Portland, USA), Chris Wolverton (Department of Materials Science and Engineering, Northwestern University, Evanston, United States), Koushik Pal (Department of Physics, Indian Institute of Technology Kanpur, Kanpur, India)

Origin of Glass-like Thermal Conductivity in Crystalline TlAgTe
Ordered crystalline compounds exhibiting ultralow and glass-like thermal conductivity are both fundamentally and technologically important, where phonon quasi-particles dominate their heat transport. Understanding the microscopic mechanisms that govern such unusual transport behavior is necessary to unravel the complex interplay of crystal structure, phonons, and collective excitations of these quasi-particles. Here, we use state-of-the-art first-principles calculations based on quantum density…

Anharmonic phonons via quantum thermal bath simulations
Taylor Baird, Rodolphe Vuilleumier, Sara Bonella
https://arxiv.org/abs/2506.21139 https://

Anharmonic phonons via quantum thermal bath simulations
Lattice vibrations within crystalline solids, or phonons, provide information on a variety of important material characteristics, from thermal qualities to optical properties and phase transition behaviour. When the material contains light ions, or is subjected to sufficiently low temperatures and/or high pressures, anharmonic and nuclear quantum effects (NQEs) may significantly alter its phonon characteristics. Unfortunately, accurate inclusion of these two effects within numerical simulations…

Replaced article(s) found for math.AG. https://arxiv.org/list/math.AG/new
[1/1]:
- A Lefschetz theorem for crystalline representations
Raju Krishnamoorthy, Jinbang Yang, Kang Zuo

R&D on a high-performance electromagnetic calorimeter based on oriented crystalline scintillators
M. Soldani, N. Argiolas, L. Bandiera, V. Baryshevsky, L. Bomben, C. Brizzolari, N. Canale, S. Carsi, S. Cutini, F. Dav\`i, D. De Salvador, A. Gianoli, V. Guidi, V. Haurylavets, M. Korjik, G. Lezzani, A. Lobko, F. Longo, L. Malagutti, S. Mangiacavalli, V. Mascagna, A. Mazzolari, L. Montalto, P. Monti-Guarnieri, M. Moulson, R. Negrello, G. Patern\`o, L. Perna, C. Petroselli, M. Prest, D.…

R&D on a high-performance electromagnetic calorimeter based on oriented crystalline scintillators
Although inorganic scintillators are widely used in the design of electromagnetic calorimeters for high-energy physics and astrophysics, their crystalline nature and, hence, their lattice orientation are generally neglected in the detector design. However, in general, the features of the electromagnetic field experienced by the particles impinging on a crystal at a small angle with respect to a lattice axis affect their interaction mechanisms. In particular, in case of electrons/photons of $\ma…

A Generalized Crystalline Equivalence Principle
Devon Stockall, Matthew Yu
https://arxiv.org/abs/2508.10978 https://arxiv.org/pdf/2508.10978

A Generalized Crystalline Equivalence Principle
We prove a general version of the crystalline equivalence principle which gives an equivalence of categories between a category of TQFTs defined on a generic space with $G$-symmetry, and a category of TQFTs with internal symmetry. We give a definition and classification of anomalies associated to TQFTs in the presence of spatial symmetry, which we then generalize to a definition of an anomaly for a categorical symmetry.

Multi-Technique Characterization of Rhodium Gem-Dicarbonyls on TiO$_2$(110)
Moritz Eder, Faith J. Lewis, Johanna I. H\"utner, Panukorn Sombut, Maosheng Hao, David Rath, Jan Balajka, Margareta Wagner, Matthias Meier, Cesare Franchini, Ulrike Diebold, Michael Schmid, Florian Libisch, Ji\v{r}\'i Pavelec, Gareth S. Parkinson
https://

Multi-Technique Characterization of Rhodium Gem-Dicarbonyls on TiO$_2$(110)
Gem-dicarbonyls of transition metals supported on metal (oxide) surfaces are common intermediates in heterogeneous catalysis. While infrared (IR) spectroscopy is a standard tool for detecting these species on applied catalysts, the ill-defined crystallographic environment of species observed on powder catalysts renders data interpretation challenging. In this work, we apply a multi-technique surface science approach to investigate rhodium gem-dicarbonyls on a single-crystalline rutile TiO$_2$(1…

A JWST study of CO$_2$ on the satellites of Saturn
Michael E. Brown, Samantha K. Trumbo, Matthew Belyakov, M. Ryleigh Davis, Ashma Pandaya
https://arxiv.org/abs/2506.19921

A JWST study of CO$_2$ on the satellites of Saturn
Solid state CO$_2$ has been detected throughout the outer solar system, even at temperatures where crystalline CO$_2$ is unstable, requiring that the CO$_2$ be trapped in a separate host material. The Saturnian satellites provide an ideal laboratory for the study of this trapped CO$_2$, allowing us to examine objects with identical insolation, but with a range of environments, ice exposure, organic abundance, and formation locations. Here, we present JWST spectra of 8 mid-sized satellites of Sa…

Series B, Episode 03 - Weapon
SERVALAN: Or respect. A man might see it as respect. You would have - once.
[Flight deck]
BLAKE: What do you think, Jenna?
AVON: I think the basic idea was stupid.
BLAKE: No, the idea was logical enough. Jenna?
https://blake.torpidity.net/m/203/71

Blakes7Bot | Search
Companion site to the Blakes7Bot Twitter, Mastodon, and Bluesky accounts. Automated lines of Blakes 7 dialog. Includes a script search facility.

On the role played by electrons in the stress-strain curves of ideal crystalline solids
Margherita Marsili, Elisa Damiani, Davide Dalle Ave, Gabriele Losi, M. Clelia Righi
https://arxiv.org/abs/2508.19043

On the role played by electrons in the stress-strain curves of ideal crystalline solids
The mechanical properties of a solid, which relate its deformation to external applied forces, are key factors in enabling or disabling the use of an otherwise optimal material in any application, strongly influencing also its service lifetime. Intrinsic crystal deformation mechanisms, investigated experimentally on single crystals with low dislocation densities, have been studied theoretically through atomistic simulations, mainly focusing on lattice-induced instabilities. Here, instead, we em…

Pair density modulation from glide symmetry breaking and nematic superconductivity
Micha{\l} Papaj, Lingyuan Kong, Stevan Nadj-Perge, Patrick A. Lee
https://arxiv.org/abs/2506.19903

Pair density modulation from glide symmetry breaking and nematic superconductivity
Pair density modulation is a superconducting state, recently observed in exfoliated iron-based superconductor flakes, in which the superconducting gap oscillates strongly with the same periodicity as the underlying crystalline lattice. We propose a microscopic model that explains this modulation through a combination of glide-mirror symmetry breaking and the emergence of nematic superconductivity. The first ingredient results in a sublattice texture on the Fermi surface, which is aligned with t…

Defect-free and defective adaptations of crystalline sheets to stretching deformation
Ranzhi Sun, Zhenwei Yao
https://arxiv.org/abs/2506.05784 https://

Defect-free and defective adaptations of crystalline sheets to stretching deformation
The elastic response of the crystalline sheet to the stretching deformation in the form of wrinkles has been extensively investigated. In this work, we extend this fundamental scientific question to the plastic regime by exploring the adaptations of crystalline sheets to the large uniaxial mechanical stretching. We reveal the intermittent plastic shear deformations leading to the complete fracture of the sheets wrapping the cylinder. Specifically, systematic investigations of crystalline sheets…

Topological constraint on crystalline current
Tomohiro Soejima, Junkai Dong, Ophelia Evelyn Sommer, Daniel E. Parker, Ashvin Vishwanath
https://arxiv.org/abs/2507.18611 https://…

Topological constraint on crystalline current
How much current does a sliding electron crystal carry? The answer to this simple question has important implications for the dynamic properties of the crystal, such as the frequency of its cyclotron motion, and its phonon spectrum. In this work we introduce a precise definition of a sliding crystal and compute the corresponding current $\mathbf{j}_c$ for topological electron crystals in the presence of magnetic field. Our result is fully non-perturbative, does not rely on Galilean invariance, …

Cooperative Suppression Strategy for Dual Thermal Transport Channels in Crystalline Materials
Yu Wu, Ying Chen, Shuming Zeng, Hao Zhang, Liujiang Zhou, Chenhan Liu, Su-Huai Wei
https://arxiv.org/abs/2508.17318

Cooperative Suppression Strategy for Dual Thermal Transport Channels in Crystalline Materials
We propose a novel design principle for achieving ultralow thermal conductivity in crystalline materials via a "heavy-light and soft-stiff" structural motif. By combining heavy and light atomic species with soft and stiff bonding networks, both particle-like ($κ_p$) and wave-like ($κ_c$) phonon transport channels are concurrently suppressed. First-principles calculations show that this architecture induces a hierarchical phonon spectrum: soft-bonded heavy atoms generate dense low-frequency mo…

Future prospect of anisotropic 2D tin sulfide (SnS) for emerging electronic and quantum device applications
Abdus Salam Sarkar
https://arxiv.org/abs/2506.19124

Future prospect of anisotropic 2D tin sulfide (SnS) for emerging electronic and quantum device applications
The family of anisotropic two-dimensional (2D) emerging materials is rapidly evolving due to their low crystal symmetry and in-plane structural anisotropy. Among these, 2D tin sulfide (SnS) has gained significant attention because of its distinctive crystalline symmetry and the resulting extraordinary anisotropic physical properties. This perspective explores recent developments in anisotropic 2D SnS. In particular, it highlights advances in isolating high-quality SnS monolayers (1L-SnS) and in…

Power-Law Interactions Stabilize Time Crystals Realizing Quantum Energy Storage and Sensing
Ayan Sahoo, Debraj Rakshit
https://arxiv.org/abs/2508.14847 https://

Power-Law Interactions Stabilize Time Crystals Realizing Quantum Energy Storage and Sensing
We study discrete time-crystalline (DTC) phases in one-dimensional spin-1/2 chains with power-law interactions under periodic Floquet driving. By generalizing Stark localization to power-law interaction profiles, we identify robust period-doubled dynamics across a wide range of interaction exponents, stabilized by the interplay between coherent driving and spatially varying coupling. Within the DTC phase, the energy stored in the system, interpreted as a quantum battery, increases superlinearly…

Alpine County, perched like an emerald on the crest of the Sierra Nevada, is as rural as rural California gets.
Vast distance separates its sparse settlements, tucked among forests and crystalline streams. The views, unobstructed by city clutter, go on forever.
There is no hospital,
no supermarket, fast-food restaurant or shopping mall anywhere in its 743 square miles.
The only stoplight is temporary,
put in place for a bridge repair.
And yet if all goes …

California mystery: Why does a small rural county vote like SF?
Rural usually means Republican. But this county is a Democratic speck in California's sea of red.

Crystal Nucleation Kinetics and Mechanism: Influence of Interaction Potential
Porhouy Minh, Steven W. Hall, Ryan S. DeFever, Sapna Sarupria
https://arxiv.org/abs/2506.16541

Crystal Nucleation Kinetics and Mechanism: Influence of Interaction Potential
Modulating liquid-to-solid transitions and the resulting crystalline structure for tailored properties is much desired. Colloidal systems are exemplary to this end, but the fundamental knowledge gaps in relating the influence of intermolecular interactions to crystallization behavior continue to hinder progress. In this study, we address this knowledge gap by studying nucleation and growth in systems with modified Lennard-Jones potential. Specifically, we study the commonly used 12-6 potential …

Bounding crystalline torsion from \'etale torsion
Ofer Gabber, Shizhang Li
https://arxiv.org/abs/2506.13543 https://arxiv.org/pdf…

Bounding crystalline torsion from étale torsion
In this note, we prove that given a smooth proper family over a $p$-adic ring of integers, one gets a control of its crystalline torsion in terms of its étale torsion, the cohomological degree, and the ramification. Our technical core result is a boundedness result concerning annihilator ideals of $u^{\infty}$-torsion in Breuil--Kisin prismatic cohomology, which might be of independent interest.

Structure-preserving scheme for 1D KWC system
Makoto Okumura, Shodai Kubota, Ken Shirakawa
https://arxiv.org/abs/2506.16963 https://a…

Structure-preserving scheme for 1D KWC system
In this paper, we consider a system of one-dimensional parabolic PDEs, known as the KWC system, as a phase-field model for grain boundary motion. A key feature of this system is that the equation for the crystalline orientation angle is described as a quasilinear diffusion equation with variable mobility. The goal of this paper is to establish a structure-preserving numerical scheme for the system, focusing on two main structural properties: $\sharp\,1)$ range preservation; and $\sharp\,2)$ ene…

Defect migration in supercrystalline nanocomposites
Dmitry Lapkin, Cong Yan, Emre G\"ursoy, Hadas Sternlicht, Alexander Plunkett, B\"usra Bor, Young Yong Kim, Dameli Assalauova, Fabian Westermeier, Michael Sprung, Tobias Krekeler, Surya Snata Rout, Martin Ritter, Satishkumar Kulkarni, Thomas F. Keller, Gerold A. Schneider, Gregor B. Vonbun-Feldbauer, Robert H. Meissner, Andreas Stierle, Ivan A. Vartanyants, Diletta Giuntini

Defect migration in supercrystalline nanocomposites
Supercrystalline nanocomposites (SCNCs) are nanostructured hybrid materials with unique emergent functional properties. Given their periodically arranged building blocks, they also offer interesting parallelisms with crystalline materials. They can be processed in multiple forms and at different scales, and crosslinking their organic ligands via heat treatment leads to a remarkable boost of their mechanical properties. This study shows, via X-ray and in-situ scanning transmission (STEM) electro…

Disorder-induced proximate quantum spin ice phase in Pr$_2$Sn$_2$O$_7$
Yi Luo, Joseph A. M. Paddison, Brenden R. Ortiz, Miles Knudtson, Stephen D. Wilson, Jue Liu, Benjamin A. Frandsen, Si Athena Chen, Matthias Frontzek, Andrey Podlesnyak, Adam A. Aczel
https://arxiv.org/abs/2508.19248

Disorder-induced proximate quantum spin ice phase in Pr$_2$Sn$_2$O$_7$
We report a comprehensive bulk characterization and neutron scattering investigation of single-crystalline Pr$_2$Sn$_2$O$_7$, a magnetic pyrochlore synthesized via a flux-growth method. Unpolarized neutron diffuse scattering reveals the emergence of spin-ice correlations below $T \sim 1$ K, evidenced by the development of anisotropic pinch-point features that are consistent with quantum-spin-ice (QSI) behavior. A.C. susceptibility measurements indicate a progressive slowing of spin dynamics in …

Crosslisted article(s) found for math.CT. https://arxiv.org/list/math.CT/new
[1/1]:
- A Generalized Crystalline Equivalence Principle
Devon Stockall, Matthew Yu

Atomistic insights into hydrogen migration in IGZO from machine-learning interatomic potential: linking atomic diffusion to device performance
Hyunsung Cho, Minseok Moon, Jaehoon Kim, Eunkyung Koh, Hyeon-Deuk Kim, Rokyeon Kim, Gyehyun Park, Seungwu Han, Youngho Kang
https://arxiv.org/abs/2508.19674…

Atomistic insights into hydrogen migration in IGZO from machine-learning interatomic potential: linking atomic diffusion to device performance
Understanding hydrogen diffusion is critical for improving the reliability and performance of oxide thin-film transistors (TFTs), where hydrogen plays a key role in carrier modulation and bias instability. In this work, we investigate hydrogen diffusion in amorphous IGZO ($a$-IGZO) and $c$-axis aligned crystalline IGZO (CAAC-IGZO) using machine learning interatomic potential molecular dynamics (MLIP-MD) simulations. We construct accurate phase-specific MLIPs by fine-tuning SevenNet-0, a univers…

Double Supersolid Phase in a Bosonic t-J-V Model with Rydberg Atoms
Kuangjie Chen, Yang Qi, Zheng Yan, Xiaopeng Li
https://arxiv.org/abs/2506.16820 https:/…

Double Supersolid Phase in a Bosonic t-J-V Model with Rydberg Atoms
Recent advances in Rydberg tweezer arrays bring novel opportunities for programmable quantum simulations beyond previous capabilities. In this work, we investigate a bosonic t-J-V model currently realized with Rydberg atoms. Through large-scale quantum Monte Carlo simulations, we uncover an emergent double supersolid (DSS) phase with the coexistence of two superfluids and crystalline order. Tunable long-range tunneling and repulsive hole-hole interactions enable a rich phase diagram featuring a…

On 3-periodic tangled networks and their untangling number
Toky Andriamanalina, Sonia Mahmoudi, Myfanwy E. Evans
https://arxiv.org/abs/2506.15252 https://

On 3-periodic tangled networks and their untangling number
Periodic networks serve as models for the structural organisation of biological and chemical crystalline systems. A single or multiple networks can have different configurations in space, where entanglement may arise due to the way the edges weave around each other. This entanglement influences the functional, physical, and chemical properties of the materials modelled by the networks, which highlights the need to quantify its complexity. In this paper, we describe a diagrammatic representation…

Unveiling Nano-scale Crystal Deformation using Coherent X-ray Dynamical Diffraction
Longlong Wu, David Yang, Wei Wang, Shinjae Yoo, Ross J. Harder, Wonsuk Cha, Aiguo Li, Ian K. Robinson
https://arxiv.org/abs/2506.15939

Unveiling Nano-scale Crystal Deformation using Coherent X-ray Dynamical Diffraction
Quantitative visualization of internal deformation fields in crystalline materials helps bridge the gap between theoretical models and practical applications. Applying Bragg coherent diffraction imaging under X-ray dynamical diffraction conditions provides a promising approach to the longstanding challenge of investigating the deformation fields in micron-sized crystals. Here, we present an automatic differentiation-based Artificial Intelligence method that integrates dynamical scattering theor…

How Soft is Too Soft? Tuning Order and Disorder in Dimeric Core-Soft Colloids with Bond Flexibility
Leandro B. Krott, Davi Felipe Kray Silva, A. de J. R\'ios-Roldan, Victor M. Trejos, J. Antonio Moreno-Razo, Jos\'e Rafael Bordin
https://arxiv.org/abs/2507.18377

How Soft is Too Soft? Tuning Order and Disorder in Dimeric Core-Soft Colloids with Bond Flexibility
We employ molecular dynamics simulations to explore how internal flexibility affects phase transitions in soft-matter systems composed of dimers interacting via a core-softened potential with two characteristic length scales. Monomers are connected by harmonic springs with varying stiffness, allowing us to tune the dimer rigidity from highly flexible to nearly rigid. Flexible dimers reproduce the behavior of monomeric systems, displaying well-defined BCC and HCP crystalline phases separated by …

This https://arxiv.org/abs/2403.04725 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_mat…

Discrete-to-continuum crystalline curvature flows
We consider here a fully discrete variant of the implicit variational scheme for mean curvature flow [AlmTayWan,LucStu], in a setting where the flow is governed by a crystalline surface tension defined by the limit of pairwise interactions energy on the discrete grid. The algorithm is based on a new discrete distance from the evolving sets, which prevents the occurrence of the spatial drift and pinning phenomena identified in [MisiatsYip16,BraGelNov] in a similar discrete framework. We provide …

Exchange-driven self-diffusion of nanoscale crystalline parahydrogen clusters on graphite
K. M. Kolevski, M. Boninsegni
https://arxiv.org/abs/2508.10883 https://

Exchange-driven self-diffusion of nanoscale crystalline parahydrogen clusters on graphite
Computer simulations yield evidence of superfluid behavior of nanoscale size clusters of parahydrogen adsorbed on a graphite substrate at low temperature ($T\lesssim 0.25 \text{ K}$). Clusters with a number of molecules between 7 and 12 display concurrent superfluidity and crystalline order, reflecting the corrugation of the substrate. Remarkably, it is found that specific clusters with a number of molecules ranging between 7 and 12 self-diffuse on the surface like free particles, despite the s…

Moir\'e dependent Chern insulators in twisted crystalline flatbands
Wenxuan Wang, Yijie Wang, Zaizhe Zhang, Zihao Huo, Gengdong Zhou, Kenji Watanabe, Takashi Taniguchi, X. C. Xie, Kaihui Liu, Zhida Song, Xiaobo Lu
https://arxiv.org/abs/2507.10875

Moiré dependent Chern insulators in twisted crystalline flatbands
In moiré crystals, the competition between different isospin configurations can be tuned by twist angles and stacking orders, forming various symmetry-broken states. Here we report twisted double rhombohedral-trilayer-gaphene as a new twisted crystalline flatbands system showing rich moiré dependent topological phenomena. For small twist angles, programmable Chern insulators with Chern number C = 3 at integer moiré filling v = 1 have been observed. We have further revealed multiple first-ord…

Crystalline liftability of irregular weights
Hanneke Wiersema
https://arxiv.org/abs/2506.21637 https://arxiv.org/pdf/2506.21637

Crystalline liftability of irregular weights
Let $p$ be an odd prime. Let $K/\mathbb{Q}_p$ be a finite unramified extension. Let $ρ: G_K \to GL_2(\overline{\mathbb{F}}_p)$ be a continuous representation. We prove that $ρ$ has a crystalline lift of small irregular weight if and only if it has multiple crystalline lifts of certain specified regular weights. The inspiration for this result comes from work of Diamond-Sasaki on geometric Serre weight conjectures. Our result provides a way to translate results currently formulated only for re…

I didn't take A-level chemistry back when I was a teenager, so playing catch-up... the equilibrium bond angles in sp² and sp³ hybridized bonds make shapes that tesselate nicely (regular hexagonal prisms and regular tetrahedra respectively) to form crystalline solids. But that didn't have to be the case, did it? Is that one of the anthropic coincidences cosmologists get exercised about? #Chemistry

Electron doping in single crystalline BaBiO$_3$: BaBiO$_{3-x}$F$_{x}$
Sathishkumar M, Asha Ann Abrahama, Rajesh Kumar Sahu, Soma Banik, Soham Manni
https://arxiv.org/abs/2507.16333

Electron doping in single crystalline BaBiO$_3$: BaBiO$_{3-x}$F$_{x}$
Topological insulators are a new class of insulators with conducting surface state. Most of the topological insulators are chalcogenides, where a tiny amount of chalcogen vacancy destroys the predicted bulk insulating state and results in a metallic or semimetallic bulk electrical transport. BaBiO$_3$ (BBO) is an interesting large bandgap (0.7 eV) insulator that upon hole doping becomes a superconductor and is theoretically predicted to show a topological insulating state under electron doping.…

Single-Crystal NMR for 17O in Alanine Enantiomers
Shiva Agarwal, Sungsool Wi, Jason Kitchen, Zhongrui Li, Christopher J. Taylor, Michael A. Famiano, John B. Miller
https://arxiv.org/abs/2506.17443

Single-Crystal NMR for 17O in Alanine Enantiomers
Single-crystal solid-state nuclear magnetic resonance (ssNMR) spectroscopy, which enables detailed analysis of the electronic structures of crystalline molecules, offers a unique opportunity to investigate molecular chirality -- an essential feature with broad implications for understanding the origin and function of life. In this study, we employ single-crystal ssNMR spectroscopy, in combination with X-ray diffraction and density functional theory (DFT) calculations, to examine the electronic …

Robustness of Majorana modes to potential disorder in Fe chains on a superconducting Rashba alloy
Harim Jang, Daniel Crawford, Khai Ton That, Lucas Schneider, Jens Wiebe, Makoto Shimizu, Harald O. Jeschke, Stephan Rachel, Roland Wiesendanger
https://arxiv.org/abs/2506.17414

Robustness of Majorana modes to potential disorder in Fe chains on a superconducting Rashba alloy
Majorana modes offer great potential for fault-tolerant quantum computation due to their topological protection. However, for superconductor-semiconductor nanowire hybrids, intrinsic disorder makes the unambiguous detection of Majorana modes difficult. Here, we construct 1D spin chains from individual Fe atoms on the Rashba surface alloy BiAg2/Ag(111) with proximity-induced superconductivity from a Nb(110) substrate. While the Fe chains exhibit perfect crystalline order, we observe nano-scale p…

Shaping Boundaries to Control and Transport Topological Defects in Colloidal Nematic Liquid Crystals
Gerardo Campos-Villalobos, Andr\'e F. V. Matias, Ethan I. L. Jull, Lisa Tran, Marjolein Dijkstra
https://arxiv.org/abs/2506.18664

Shaping Boundaries to Control and Transport Topological Defects in Colloidal Nematic Liquid Crystals
Anisotropic rod-like particles form liquid crystalline phases with varying degrees of orientational and translational order. When confined geometrically, these phases can give rise to topological defects, which can be selected and controlled by tuning how the rods align near boundaries, known as anchoring. While anchoring in molecular liquid crystals can be controlled through surface functionalization, this approach is not easily applicable to microscale colloidal systems, which have so far bee…

Ferroelectricity in 6 Angstrom-Thick Two-dimensional Ga$_2$O$_3$
Tong Jiang (School of Materials Science and Engineering, Zhejiang University, Hangzhou, China, Key Laboratory of 3D Micro/Nano Fabrication and Characterization of Zhejiang Province, School of Engineering, Westlake University, Hangzhou, China, School of Engineering, Westlake University, Hangzhou, Zhejiang, China), Han Chen (School of Materials Science and Engineering, Zhejiang University, Hangzhou, China, Key Laboratory of…

Ferroelectricity in 6 Angstrom-Thick Two-dimensional Ga$_2$O$_3$
Atomic-scale ferroelectric thin films hold great promise for high-density, low-power applications but face stability and voltage scaling challenges at extreme thinness. Here, we demonstrate ferroelectricity in single-crystalline two-dimensional (2D) Ga$_2$O$_3$, an ultra-wide-bandgap semiconductor, at just 6 angstrom thickness, exhibiting exceptional retention and thermal stability. We show that epitaxial beta-Ga$_2$O$_3$ can be exfoliated down to a half-unit cell thickness via a self-limiting …

Silicate Sundogs: Probing the Effects of Grain Directionality in Exoplanet Observations
Elijah Mullens, Nikole K. Lewis
https://arxiv.org/abs/2508.01839 https://

Silicate Sundogs: Probing the Effects of Grain Directionality in Exoplanet Observations
Crystalline ice in Earth's atmosphere can produce spectacular phenomena due to orientation-dependent attenuation, such as sun dogs and halos, providing diagnostics of the external processes acting on the aerosol grains. Crystalline mineral aerosols, such as quartz (SiO$_2$) and enstatite/forsterite (MgSiO$_3$/Mg$_2$SiO$_4$), have long been predicted to form in hot Jupiter atmospheres with JWST MIRI LRS verifying the existence of crystalline quartz observationally. Due to the strong horizontal w…

This https://arxiv.org/abs/2410.02372 has been replaced.
initial toot: https://mastoxiv.page/@arXiv_csCE_…

Revisiting the Canonicalization for Fast and Accurate Crystal Tensor Property Prediction
Predicting the tensor properties of crystalline materials is a fundamental task in materials science. Unlike single-value property prediction, which is inherently invariant, tensor property prediction requires maintaining O(3) group tensor equivariance. Such equivariance constraint often requires specialized architecture designs to achieve effective predictions, inevitably introducing tremendous computational costs. Canonicalization, a classical technique for geometry, has recently been explore…

Apparatus for the measurement of birefringence maps of optical materials: the case of crystalline silicon for Einstein Telescope
Alina Mariana Soflau, Federico Della Valle, Francesco Cescato, Giovanni Di Domenico, Aur\'elie Mailliet, Lorenzo Malagutti, Emilio Mariotti, Andrea Mazzolari, Marco Romagnoni, Guido Zavattini
https://

Apparatus for the measurement of birefringence maps of optical materials: the case of crystalline silicon for Einstein Telescope
Einstein Telescope (ET) is expected to achieve sensitivity improvements exceeding an order of magnitude compared to current gravitational-wave detectors. The rigorous characterization in optical birefringence of materials and coatings has become a critical task for next-generation detectors, especially since this birefringence is generally spatially non-uniform. A highly sensitive optical polarimeter has been developed at the Department of Physics and Earth Sciences of the University of Ferrara…

Dirac edge states of two-dimensional altermagnetic topological crystalline insulators
Raghottam M. Sattigeri, Xujia Gong, Amar Fakhredine, Carmine Autieri, Giuseppe Cuono
https://arxiv.org/abs/2506.10782

Dirac edge states of two-dimensional altermagnetic topological crystalline insulators
Two-dimensional (2D) metallic altermagnets present exciting opportunities for both fundamental research and practical innovations. Their ability to enhance tunneling magnetoresistance in magnetic tunnel junctions, combined with the direct control of spin currents via electric fields, makes them highly promising for spintronic devices. Moreover, the rich electronic structure of altermagnets can host nontrivial topological phases. In particular, topological crystalline insulators are compounds wh…

The CP2K Program Package Made Simple
Marcella Iannuzzi, Jan Wilhelm, Frederick Stein, Augustin Bussy, Hossam Elgabarty, Dorothea Golze, Anna Hehn, Maximilian Graml, Stepan Marek, Beliz Sertcan G\"okmen, Christoph Schran, Harald Forbert, Rustam Z. Khaliullin, Anton Kozhevnikov, Mathieu Taillefumier, Rocco Meli, Vladimir Rybkin, Martin Brehm, Robert Schade, Ole Sch\"utt, Johann V. Pototschnig, Hossein Mirhosseini, Andreas Kn\"upfer, Dominik Marx, Matthias Krack, J\"ur…

The CP2K Program Package Made Simple
CP2K is a versatile open-source software package for simulations across a wide range of atomistic systems, from isolated molecules in the gas phase to low-dimensional functional materials and interfaces, as well as highly symmetric crystalline solids, disordered amorphous glasses, and weakly interacting soft-matter systems in the liquid state and in solution. This review highlights CP2K's capabilities for computing both static and dynamical properties using quantum-mechanical and classical simu…

Viscosity, breakdown of Stokes-Einstein relation and dynamical heterogeneity in supercooled liquid Ge 2 Sb 2 Te 5 from simulations with a neural network potential
Simone Marcorini, Rocco Pomodoro, Omar Abou El Kheir, Marco Bernasconi
https://arxiv.org/abs/2506.13668

Viscosity, breakdown of Stokes-Einstein relation and dynamical heterogeneity in supercooled liquid Ge 2 Sb 2 Te 5 from simulations with a neural network potential
Phase change materials are exploited in non-volatile electronic memories and photonic devices that rely on a fast and reversible transformation between the amorphous and crystalline phase upon heating. The recrystallization of the amorphous phase at the operation conditions of the memories occurs in the supercooled liquid phase above the glass transition temperature $T_g$. The dynamics of the supercooled liquid is thus of great relevance for the operation of the devices and, close to $T_g$, als…

Microstructure of Silicon Anodes in Solid-State Batteries -- From Crystalline to Amorphous
Shamail Ahmed, Federico Rossi, Hanyu Huo, Johannes Haust, Franziska Hueppe, Juergen Belz, Andreas Beyer, Juergen Janek, Kerstin Volz
https://arxiv.org/abs/2507.16561

Microstructure of Silicon Anodes in Solid-State Batteries -- From Crystalline to Amorphous
Silicon offers great promise as a potential anode active material and the optimum alternative to lithium metal in all-solid-state lithium-ion batteries. However, its practical application is limited by severe volume expansion (~300%) during lithiation, leading to cracking upon delithiation. In this study, we investigated the microstructural evolution of microcrystalline silicon electrodes in a solid-electrolyte-free environment using cryogenic scanning transmission electron microscopy (STEM) du…

Crystalline water intercalation into the Kitaev honeycomb cobaltate Na$_2$Co$_2$TeO$_6$
Masaaki Ito, Yuya Haraguchi, Teruki Motohashi, Miwa Saito, Satoshi Ogawa, Takashi Ikuta, Hiroko Aruga Katori
https://arxiv.org/abs/2508.08717

Crystalline water intercalation into the Kitaev honeycomb cobaltate Na$_2$Co$_2$TeO$_6$
We herein report the successful intercalation of water molecules into the layered honeycomb lattice of Na$_2$Co$_2$TeO$_6$, a Kitaev-candidate compound, to obtain the hydrated phase Na$_2$Co$_2$TeO$_6$$\cdot$$y$H$_2$O ($y \sim$ 2.4). Fourier transform infrared spectroscopy, thermogravimetric analysis, differential scanning calorimetry, and Rietveld refinements indicate that crystalline water resides between the cobalt-based honeycomb layers. This insertion of neutral molecules significantly alt…

A Multi-Level Monte Carlo Tree Search Method for Configuration Generation in Crystalline Systems
Xiaoxu Li, Ge Xu, Huajie Chen, Xingyu Gao, Haifeng Song
https://arxiv.org/abs/2507.02509

A Multi-Level Monte Carlo Tree Search Method for Configuration Generation in Crystalline Systems
In this paper, we study the construction of structural models for the description of substitutional defects in crystalline materials. Predicting and designing the atomic structures in such systems is highly challenging due to the combinatorial growth of atomic arrangements and the ruggedness of the associated landscape. We develop a multi-level Monte Carlo tree search algorithm to generate the "optimal" configuration within a supercell. Our method explores the configuration space with an expand…

Series B, Episode 03 - Weapon
TRAVIS: What?
SERVALAN: If he's cornered, he might destroy the weapon.
TRAVIS: I should have realized.
SERVALAN: I don't find stupidity amusing, Travis.
TRAVIS: No.
https://blake.torpidity.net/m/203/266 B7B2

Chemical vapor deposition synthesis of (GeTe)n(Sb2Te3) gradient crystalline films as promising planar heterostructures
M. Zhezhu, A. Vasil'ev, M. Yapryntsev, E. Ghalumyan, D. A. Ghazaryan, H. Gharagulyan
https://arxiv.org/abs/2507.12888

Chemical vapor deposition synthesis of (GeTe)n(Sb2Te3) gradient crystalline films as promising planar heterostructures
Phase-change materials of the (GeTe)n (Sb2Te3) (GST) system are of high relevance in memory storage and energy conversion applications due to their fast-switching speed, high data retention, and tunable properties. Here, we report on a fast and efficient CVD-based method for the fabrication of crystalline GST films with variable Ge/Sb atomic content. In particular, the approach enables compositional control without changing the precursor, facilitating a gradient synthesis of Ge3Sb2Te6, Ge2Sb2Te…

Replaced article(s) found for quant-ph. https://arxiv.org/list/quant-ph/new
[3/3]:
- One-dimensional $\mathbb{Z}$-classified topological crystalline insulator under space-time invers...
Ling Lin, Yongguan Ke, Chaohong Lee

MOFClassifier: A Machine Learning Approach for Validating Computation-Ready Metal-Organic Frameworks
Guobin Zhao, Pengyu Zhao, Yongchul G. Chung
https://arxiv.org/abs/2506.14845

MOFClassifier: A Machine Learning Approach for Validating Computation-Ready Metal-Organic Frameworks
The computational discovery and design of new crystalline materials, particularly metal-organic frameworks (MOFs), heavily relies on high-quality, computation-ready structural data. However, recent studies have revealed significant error rates within existing MOF databases, posing a critical data problem that hinders efficient high-throughput computational screening. While rule-based algorithms like MOSAEC, MOFChecker, and the Chen and Manz method (Chen-Manz) have been developed to address this…

Weak in the boundary: How weak SPT phases spoil anomaly matching
Daniel Sheinbaum, Omar Antol\'in Camarena
https://arxiv.org/abs/2507.17179 https://arx…

Weak in the boundary: How weak SPT phases spoil anomaly matching
We show how weak symmetry protected topological (SPT) phases on systems with a boundary are not in 1-to-1 correspondence with weak SPT phases on fully periodic systems, breaking the standard anomaly inflow interpretation of SPT phases. We further discuss the implications for the crystalline equivalence principle (CEP).

Some applications of the Nygaard filtration and quasisyntomic descent in positive characteristic
Livia Grammatica
https://arxiv.org/abs/2507.08568 https://…

Some applications of the Nygaard filtration and quasisyntomic descent in positive characteristic
This article gives an expository account of quasisyntomic descent and the Nygaard filtration in positive characteristic, complemented by several new applications to $p$-adic cohomology theories. The guiding result is a new approach to Illusie's comparison between fppf cohomology with $\mathbb{Z}_p(1)$ coefficients and the slope $1$ part of crystalline cohomology. We follow work of Bhatt-Lurie, but give a more elementary presentation which does not rely on the formalism of $\infty$-categories. W…

Dis-GEN: Disordered crystal structure generation
Martin Hoffmann Petersen, Ruiming Zhu, Haiwen Dai, Savyasanchi Aggarwal, Nong Wei, Andy Paul Chen, Arghya Bhowmik, Juan Maria Garcia Lastra, Kedar Hippalgaonkar
https://arxiv.org/abs/2507.18275

Dis-GEN: Disordered crystal structure generation
A wide range of synthesized crystalline inorganic materials exhibit compositional disorder, where multiple atomic species partially occupy the same crystallographic site. As a result, the physical and chemical properties of such materials are dependent on how the atomic species are distributed among the corresponding symmetrical sites, making them exceptionally challenging to model using computational methods. For this reason, existing generative models cannot handle the complexities of disorde…

Complex single-site magnetism and magnetotransport in single-crystalline Gd$_{2}$AlSi$_{3}$
Ram Kumar, Shanta R. Saha, Jarryd Horn, A. Ikeda, Danila Sokratov, Yash Anand, Prathum Saraf, Ryan Dorman, E. Hemley, K. K. Iyer, Johnpierre Paglione
https://arxiv.org/abs/2506.14687

Complex single-site magnetism and magnetotransport in single-crystalline Gd$_{2}$AlSi$_{3}$
We present a detailed investigation of single-crystal samples of the magnetic compound Gd$_{2}$AlSi$_{3}$, which crystallizes in the $α$-ThSi$_2$ type tetragonal structure. We report the temperature and magnetic field dependence of the magnetic susceptibility, magnetization, heat capacity, electrical resistivity, and magnetoresistance for magnetic fields applied along both the tetragonal $c$-axis and in the basal $ab$-plane. X-ray diffraction measurements confirm a centrosymmetric, $I4_{1}/amd…

Programmable phase selection between altermagnetic and non-centrosymmetric polymorphs of MnTe on InP via molecular beam epitaxy
An-Hsi Chen, Parul R. Raghuvanshi, Jacob Cook, Michael Chilcote, Jason Lapano, Alessandro R. Mazza, Qiangsheng Lu, Sangsoo Kim, Yueh-Chun Wu, T. Zac Ward, Benjamin Lawrie, Guang Bian, James Burns, Jonathan D. Poplawsky, Myung-Geun Han, Yimei Zhu, Lucas Lindsay, Hu Miao, Robert G. Moore, Gyula Eres, Valentino R. Cooper, Matthew Brahlek

Programmable phase selection between altermagnetic and non-centrosymmetric polymorphs of MnTe on InP via molecular beam epitaxy
Phase selecting nearly degenerate crystalline polymorphs during epitaxial growth can be challenging yet is critical to targeting physical properties for specific applications. Here, we establish how phase selectivity of altermagnetic and non-centrosymmetric polymorphs of MnTe with high structural quality and phase purity can be programmed by subtle changes to the surface of lattice-matched InP substrates in molecular beam epitaxial (MBE) growth. Bulk altermagnetic MnTe is thermodynamically stab…

Photonic bandgap properties of hyperuniform systems self-assembled in a microfluidic channel
Lily Traktman, Bowen Yu, Isa Vasquez, Stanislav Ospov, Remi Dreyfus, Weining Man
https://arxiv.org/abs/2507.08613

Photonic bandgap properties of hyperuniform systems self-assembled in a microfluidic channel
Traditional self-assembly methods often rely on densely packed colloidal crystalline structures and have inherent limitations in generating materials with isotropic photonic bandgaps (PBG). This study explores the photonic properties of materials structured according to hyperuniform disordered patterns (HUDS) generated via a hydrodynamic process in a microchannel. This research employs simulations to characterize optical bandgaps and determine the minimum dielectric contrast required for PBG fo…

Quantifying stored energy release in irradiated YBa$_2$Cu$_3$O$_7$ through molecular dynamics annealing simulations
Lauryn Kortman, Alexis Devitre, Charles Hirst
https://arxiv.org/abs/2506.13625

Quantifying stored energy release in irradiated YBa$_2$Cu$_3$O$_7$ through molecular dynamics annealing simulations
Over the lifetime of a fusion power plant, irradiation-induced defects will accumulate in the superconducting magnets compromising their ability to carry current without losses, generate high magnetic fields, and thus maintain plasma confinement. These defects also store potential energy within the crystalline lattice of materials, which can be released upon annealing. This phenomenon raises the question of whether the energy stored in defects may be sufficient to accelerate, or even trigger, a…

Pseudogap in a crystalline insulator doped by disordered metals
Sae Hee Ryu, Minjae Huh, Do Yun Park, Chris Jozwiak, Eli Rotenberg, Aaron Bostwick, Keun Su Kim
https://arxiv.org/abs/2507.07500

Pseudogap in a crystalline insulator doped by disordered metals
A key to understand how electrons behave in crystalline solids is the band structure that connects the energy of electron waves to their wavenumber (k). Even in the phase of matter with only short-range order (liquid or amorphous solid), the coherent part of electron waves still possesses a band structure. Theoretical models for the band structure of liquid metals were formulated more than 5 decades ago, but thus far, bandstructure renormalization and pseudogap induced by resonance scattering h…

Intrinsic Strain-Driven Topological Evolution in SrRuO3 via Flexural Strain Engineering
Liguang Gong, Hongping Jiang, Bin Lao, Xuan Zheng, Xuejiao Chen, Zhicheng Zhong, Yan Sun, Xianfeng Hao, Milan Radovic, Run-Wei Li, Zhiming Wang
https://arxiv.org/abs/2508.16084

Intrinsic Strain-Driven Topological Evolution in SrRuO3 via Flexural Strain Engineering
Strain engineering offers a powerful route to tailor topological electronic structures in correlated oxides, yet conventional epitaxial strain approaches introduce extrinsic factors such as substrate-induced phase transitions and crystalline quality variations, which makes the unambiguous identification of the intrinsic strain effects challenging. Here, we develop a flexural strain platform based on van der Waals epitaxy and flexible micro-fabrication, enabling precise isolation and quantificat…

This https://arxiv.org/abs/1801.08820 has been replaced.
link: https://scholar.google.com/scholar?q=a

Reductions of modular Galois representations of Slope (2,3)
We compute the semisimplifications of the mod-$p$ reductions of $2$-dimensional crystalline representations of the absolute Galois group of the p-adic numbers of slope $(2,3)$ and arbitrary weight, building on work of Bhattacharya-Ghate

Tailoring Magnetic Properties of Zigzag Structured Thin Films via Interface Engineering and Columnar Nano-structuring
Sharanjeet Singh, Manisha Priyadarsini, Anup Kumar Bera, Smritiparna Ghosh, Varimalla R. Reddy, Sarathlal Koyiloth Vayalil, Benedikt Sochor, Dileep Kumar
https://arxiv.org/abs/2506.19577

Tailoring Magnetic Properties of Zigzag Structured Thin Films via Interface Engineering and Columnar Nano-structuring
We report the emergence of a novel interface-induced shape anisotropy component in zigzag-structured thin films fabricated via Sequential Oblique Angle Deposition (S-OAD). In this study, we systematically investigate cobalt (Co) and Co2FeAl (CFA) thin films by varying column length, number of bilayers, and magneto-crystalline anisotropy (MCA) to explore how structural modulation affects magnetic behavior. Using magneto-optical Kerr effect (MOKE) measurements in conjunction with synchrotron-base…

Classification of Average Crystalline Topological Superconductors through a Generalized Real-Space Construction
Sarvesh Srinivasan, Jian-Hao Zhang, Yang Qi, Zhen Bi
https://arxiv.org/abs/2508.02661

Classification of Average Crystalline Topological Superconductors through a Generalized Real-Space Construction
We investigate a novel class of topological superconducting phases protected by exact fermion-parity symmetry and average crystalline symmetries. These phases belong to the broader class of average crystalline symmetry-protected topological (ACSPT) states and include numerous examples of intrinsic ACSPTs -- topological phases that arise only in the presence of disorder or decoherence. Unlike conventional symmetry-protected topological (SPT) phases, which require exact symmetry protection, avera…

Projected branes as platforms for crystalline, superconducting, and higher-order topological phases
Archisman Panigrahi, Bitan Roy
https://arxiv.org/abs/2507.23783 https://

Projected branes as platforms for crystalline, superconducting, and higher-order topological phases
Projected branes are constituted by only a small subset of sites of a higher-dimensional crystal, otherwise placed on a hyperplane oriented at an irrational or a rational slope therein, for which the effective Hamiltonian is constructed by systematically integrating out the sites of the parent lattice that fall outside such branes [Commun. Phys. 5, 230 (2022)]. Specifically, when such a brane is constructed from a square lattice, it gives rise to an aperiodic Fibonacci quasi-crystal or its rati…

Ball milling enables phase-pure synthesis of a temperature sensitive ternary chloride, MgZrCl$_6$
Christopher L. Rom, Austin Shotwell, Sinclair Combs, Autumn Peters, Lauren Borgia, James R. Neilson, Annalise E. Maughan
https://arxiv.org/abs/2508.16066

Ball milling enables phase-pure synthesis of a temperature sensitive ternary chloride, MgZrCl$_6$
Ball milling is a powerful synthetic tool for discovering new inorganic materials. Inspired by the high ionic conductivity in Li$_2$ZrCl$_6$ synthesized via mechanochemistry, we synthesized MgZrCl$_6$ with a similar method. High resolution synchrotron X-ray diffraction shows that MgZrCl$_6$ is poorly crystalline after ball milling, but crystallizes in a layered hexagonal structure ($P31c$) after heat treatment. In situ synchrotron X-ray diffraction reveals a narrow temperature window around 400…

Crystalline electric field excitations in Weyl semimetal \textit{R}AlSi (\textit{R} = Ce, Pr and Nd)
Lin Yang, Yili Sun, Xiutong Deng, Weizheng Cao, Xiaoyan Ma, Yinguo Xiao, Zhentao Wang, Ze Hu, Xiaowen Hao, Yuan Yuan, Zecong Qin, Wei Luo, Qingyong Ren, Xin Tong, Mohamed Aouane, Manh Duc Le, Youguo Shi, Yanpeng Qi, Devashibhai Adroja, Huiqian Luo
https://

Crystalline electric field excitations in Weyl semimetal \textit{R}AlSi (\textit{R} = Ce, Pr and Nd)
The rare earth intermetallic system \textit{R}Al\textit{X} (\textit{R} = rare earth elements, \textit{X} = Si and Ge) is known to be a promising candidate of magnetic Weyl semimetal. Due to the complex interactions between the rare earth elements and surrounding atoms, as well as hybridization with itinerant electrons, this family likely possesses highly intriguing and novel magnetic structures and thus exhibits dynamic behaviors. We systematically probe polycrystalline samples of \textit{R}AlS…

Growth of Structural Lengthscale in Kob Andersen Binary Mixtures: Role of medium range order
Sanket Kumawat, Mohit Sharma, Ujjwal Kumar Nandi, Indrajit Tah, Sarika Maitra Bhattacharyya
https://arxiv.org/abs/2507.07819

Growth of Structural Lengthscale in Kob Andersen Binary Mixtures: Role of medium range order
A central and extensively debated question in glass physics concerns whether a single, growing lengthscale fundamentally controls glassy dynamics, particularly in systems lacking obvious structural motifs or medium range crystalline order (MRCO). In this work, we investigate structural and dynamical lengthscales in supercooled liquids using the Kob Andersen binary Lennard Jones (KALJ) model in two compositions: 80:20 and 60:40. We compute the dynamical lengthscale from displacement displacement…

This https://arxiv.org/abs/2409.07885 has been replaced.
initial toot: https://mastoxiv.page/@ar…

Towards Timetronics with Photonic Systems
Periodic driving of particles can create crystalline structures in their dynamics. Such systems can be used to study solid-state physics phenomena in the time domain. In addition, it is possible to realize photonic time crystals and to engineer the wave-number band structure of optical devices by periodic temporal modulation of the properties of light-propagating media. Here we introduce a versatile approach which uses traveling wave resonators to emulate various condensed matter phases in the …

Challenges and opportunities in piezoelectric polymers: Effect of oriented amorphous fraction in ferroelectric semicrystalline polymers
Guanchun Rui, Elshad Allahyarov, Zhiwen Zhu, Yanfei Huang, Thumawadee Wongwirat, Qin Zou, Philip L. Taylor, Lei Zhu
https://arxiv.org/abs/2506.18722

Challenges and opportunities in piezoelectric polymers: Effect of oriented amorphous fraction in ferroelectric semicrystalline polymers
Despite extensive research on piezoelectric polymers since the discovery of piezoelectric poly(vinylidene fluoride) (PVDF) in 1969, the fundamental physics of polymer piezoelectricity has remained elusive. Based on the classic principle of piezoelectricity, polymer piezoelectricity should originate from the polar crystalline phase. Surprisingly, the crystal contribution to the piezoelectric strain coefficient d31 is determined to be less than 10%, primarily owing to the difficulty in changing t…

Classification of Magnetism and Altermagnetism in Quasicrystals
Zhi-Yan Shao, Chen Lu, Zhiming Pan, Yu-Bo Liu, Fan Yang
https://arxiv.org/abs/2508.15702 https://

Classification of Magnetism and Altermagnetism in Quasicrystals
Altermagnetism, an unconventional magnetic phase characterized by zero net magnetism and a spin-split electronic band, has been studied exclusively in conventional crystalline materials. In this work, we extend the theoretical framework of altermagnetism to quasicrystals (QCs), which lack translational symmetry. We classify magnetic phases in 2D QCs with $n$-fold rotational symmetry without spin-orbit coupling, by using the irreducible representation (IRRP) of the $D_n$ point group. Based on sy…

Replaced article(s) found for cond-mat.mes-hall. https://arxiv.org/list/cond-mat.mes-hall/new
[1/1]:
- Nodal pair density waves from a quarter-metal in crystalline graphene multilayers
Sk Asrap Murshed, Bitan Roy

Wrinkle Mediated Phase Transitions in In$_2$Se$_3$
Joseph L. Spellberg, Lina Kodaimati, Atreyie Ghosh, Prakriti P. Joshi, Sarah B. King
https://arxiv.org/abs/2507.16706

Wrinkle Mediated Phase Transitions in In$_2$Se$_3$
Crystalline phase transitions in two-dimensional materials enable precise control over electronic and ferroic properties, making them attractive materials for memory and energy storage applications. In$_2$Se$_3$ is particularly promising because its $α$ and $β'$ phases are both stable at room temperature but exhibit distinct ferroic behaviors. However, achieving reliable reversible switching between these states remains challenging. Here, we show that controlled $β'\rightarrowα$ phase trans…

Superheating and melting phenomena of a vibrated granular layer of cubic particles
Francisco L\'opez-Gonz\'alez, Gustavo M. Rodr\'iguez-Li\~n\'an, Fernando Donado, Felipe Pacheco V\'azquez, Luis Fernando Elizondo-Aguilera
https://arxiv.org/abs/2507.07305

Superheating and melting phenomena of a vibrated granular layer of cubic particles
We report the combined results of experiments and molecular dynamics simulations conducted to investigate superheating phenomena in vertically vibrated granular matter. Specifically, we consider a system of cubic particles densely packed in a square-lattice array and subjected to different shaking strengths, denoted by Gamma, approaching a critical value Gamma_c. Below Gamma_c, the superheated crystalline array remains indefinitely stable. Above Gamma_c, it transitions progressively into a gran…

Pressure-induced band gap energy increase in crystalline lactose
Igor A. Fedorov
https://arxiv.org/abs/2507.02629 https://arxiv.org/p…

Pressure-induced band gap energy increase in crystalline lactose
Lactose is widely used in agri-food and pharma industries. New materials that can be obtained from renewable sources are currently being sought. I have studied the effect of hydrostatic pressure on structural properties of currently known forms of crystalline lactose within the framework of density functional theory with van der Waals interactions. The computed parameters have good agreement with experimental data. The effect of mechanical deformations on electron structure of crystalline lacto…

Laser-induced topological phases in monolayer amorphous carbon
Arnob Kumar Ghosh, Quentin Marsal, Annica M. Black-Schaffer
https://arxiv.org/abs/2508.09571 https://

Laser-induced topological phases in monolayer amorphous carbon
Driving non-topological materials out of equilibrium using time-periodic perturbations, such as circularly-polarized laser light, is a compelling way to engineer topological phases. At the same time, topology has traditionally only been considered for crystalline materials. Here we propose an experimentally feasible way of driving monolayer amorphous carbon topological. We show that circularly polarized laser light induces both regular and anomalous edge modes at quasienergies $0$ and $\pm π$,…

Interstitially bridged van der Waals interface enabling stacking-fault-free, layer-by-layer epitaxy
GunWoo Yoo, TaeJoon Mo, Yong-Sung Kim, Chang-Won Choi, Gunho Moon, Sumin Lee, Chan-Cuk Hwang, Woo-Ju Lee, Min-Yeong Choi, Jongyun Choi, Si-Young Choi, Moon-Ho Jo, Cheol-Joo Kim
https://arxiv.org/abs/2507.16361

Interstitially bridged van der Waals interface enabling stacking-fault-free, layer-by-layer epitaxy
Van der Waals (vdW) crystals are prone to twisting, sliding, and buckling due to inherently weak interlayer interactions. While thickness-controlled vdW structures have attracted considerable attention as ultrathin semiconducting channels, the deterministic synthesis of stacking-fault-free multilayers remains a persistent challenge. Here, we report the epitaxial growth of single-crystalline hexagonal bilayer MoS₂, enabled by the incorporation of Mo interstitials between layers during…

Low Temperature Formation of Crystalline VO2 Domains in Porous 1 Nanocolumnar Thin Films for Thermochromic Applications
H. Acosta-Rivera, V. Rico, F. J. Ferrer, T. C. Rojas, R. Alvarez, N. Martin, A. R. Gonzalez-Elipe, A. Palmero
https://arxiv.org/abs/2507.23393

Low Temperature Formation of Crystalline VO2 Domains in Porous 1 Nanocolumnar Thin Films for Thermochromic Applications
The formation of VO2 crystalline domains in amorphous substoichiometric nanocolumnar VOx thin films subjected to an oxidation process at temperatures below 300°C has been studied. It is obtained that values of [O]/[V] above 1.9 lead to the sole formation of V2O5 after oxidation, while values below 1.9 favor the formation of VO2, V3O7 and V2O5 crystalline domains for temperatures as low as 260°C. Moreover, it is found that the adsorption of oxygen and its incorporation into the film network pr…

Electronic band structure of a nodal line semimetal candidate ErSbTe
Iftakhar Bin Elius, Nathan Valadez, Dante James, Sami Elgalal, Grzegorz Chajewski, Tetiana Romanova, Andrzej Ptok, Dariusz Kaczorowski, Madhab Neupane
https://arxiv.org/abs/2508.07422

Electronic band structure of a nodal line semimetal candidate ErSbTe
The LnSbTe family is well known for hosting a plethora of intriguing characteristics stemming from its crystalline symmetry, magnetic structure, 4f electronic correlations and spin orbit coupling (SOC) phenomena. In this paper, we have systematically studied the bulk electrical and thermodynamic properties and electronic structure of the nodal line semimetal candidate ErSbTe using angle resolved photoemission spectroscopy (ARPES) corroborated with first principles based theoretical band structu…

Solid-State Dewetting of Polycrystalline Thin Films: a Phase Field Approach
Paul Hoffrogge, Nils Becker, Daniel Schneider, Britta Nestler, Axel Voigt, Marco Salvalaglio
https://arxiv.org/abs/2507.10811

Solid-State Dewetting of Polycrystalline Thin Films: a Phase Field Approach
Solid-state dewetting (SSD) is the process by which thin solid films break up and retract on a substrate, resulting in the formation of nanostructures and islands. While SSD in single-crystalline films is generally understood as a surface-energy-driven process mediated by surface diffusion, polycrystalline films feature additional complexity due to the presence of grain boundaries. Theoretical investigations and simulation frameworks have mainly focused on single-crystalline SSD. In this work, …

Crosslisted article(s) found for cond-mat.str-el. https://arxiv.org/list/cond-mat.str-el/new
[1/1]:
- A Generalized Crystalline Equivalence Principle
Devon Stockall, Matthew Yu

Observation of relativistic domain wall motion in amorphous ferrimagnets
Pietro Diona, Luca Maranzana, Sergey Artyukhin, Giacomo Sala
https://arxiv.org/abs/2508.13950 https://…

Observation of relativistic domain wall motion in amorphous ferrimagnets
Domain walls in magnetic materials are sine-Gordon solitons characterized by relativistic kinematics, with the maximum spin-wave group velocity setting a limit for the domain wall speed and hence the highest operation frequency of magnetic devices. This relativistic regime has been observed only in crystalline iron-garnet ferrimagnets but is in general expected in many magnetic materials. In particular, amorphous rare-earth -- transition metal ferrimagnets should exhibit relativistic effects be…

Subthreshold Swing Behavior in Amorphous Indium-Gallium-Zinc-Oxide Transistors from Room to Cryogenic Temperatures
Hongwei Tang, Attilio Belmonte, Dennis Lin, Ying Zhao, Arnout Beckers, Patrick Verdonck, Harold Dekkers, Subhali Subhechha, Michiel van Setten, Zhuo Chen, Gouri Sankar Kar, Jan Van Houdt, Valeri Afanas'ev
https://

Subthreshold Swing Behavior in Amorphous Indium-Gallium-Zinc-Oxide Transistors from Room to Cryogenic Temperatures
While cryogenic-temperature subthreshold swing (SS) in crystalline semiconductors has been widely studied, a careful study on the temperature-dependent SS in amorphous oxide semiconductors remains lacking. In this paper, a comprehensive analysis of the SS in thin-film transistors with an amorphous indium gallium zinc oxide (IGZO) channel at temperatures from 300 K down to 4 K is presented. Main observations include: 1) At room temperature (300 K), the devices exhibit a SS of 61 mV/dec, and a lo…

Critical Importance of Grain Boundaries to the Conductivity of Polycrystalline Molecular Crystals
Shujit Chandra Paul, William A. Goddard III, Michael J. Zdilla, Prabhat Prakash, Stephanie L. Wunder
https://arxiv.org/abs/2508.12172

Critical Importance of Grain Boundaries to the Conductivity of Polycrystalline Molecular Crystals
Soft-solid molecular crystals consist of crystalline grains and fluid grain boundaries (GB) that enhance the grain binding and transport of Li+ ions between the grains. The total ionic conductivity consists of ion migration in both the grains and GBs. To unravel these contributions in adiponitrile (Adpn)-LiPF6 molecular crystals, the GB volume fraction was varied by changing the size of the crystals and the adiponitrile/LiPF6 molar ratio. Molecular dynamic (MD) simulations indicate that ion mot…

A new angle on stacking faults: Breaking the edge-on limit in high-resolution defect analysis
Nicolas Karpstein, Lukas M\"uller, Andreas Bezold, Steffen Neumeier, Erdmann Spiecker
https://arxiv.org/abs/2506.15510

A new angle on stacking faults: Breaking the edge-on limit in high-resolution defect analysis
The nature of stacking faults - whether intrinsic or extrinsic - plays a pivotal role in defect-mediated processes in crystalline materials. Yet, current electron microscopy techniques for their reliable analysis remain limited to either conventional fringe-contrast imaging of inclined faults or atomic-resolution imaging of edge-on configurations. Here, we overcome this dichotomy by introducing a high-resolution scanning transmission electron microscopy (HRSTEM) method that enables full structu…

Towards High-Efficiency Solar Cells: Insights into AsNCa 3 Antiperovskite as Active Layer
M. Irfan, B. D. Aparicio-Huacarpuma, C. M. de Oliveira Bastos, M. J. Piotrowski, C. R. C. R\^ego, D. Guedes-Sobrinho, R. Besse, A. M. Almeida Silva, Alexandre C. Dias, L. A. Ribeiro Jr
https://arxiv.org/abs/2506.15403

Towards High-Efficiency Solar Cells: Insights into AsNCa 3 Antiperovskite as Active Layer
Advances in photovoltaic technology are a viable route to contribute to cleaner and more sustainable energy solutions, placing perovskite-based materials among the best candidates for solar energy conversion. However, some challenges must be addressed to enhance their performance and stability. Herein, we report an investigation of the AsNCa3 antiperovskite system for its potential in photovoltaic devices. We consider eight distinct crystalline phases, their structural parameters, dynamical sta…

Experimental evidence of disordered crystalline premixing in sputter-deposited Ni(V)/Al multilayers
Michael J Abere, Paul G. Kotula, Jonathan S. Paras, David P. Adams
https://arxiv.org/abs/2508.01484

Experimental evidence of disordered crystalline premixing in sputter-deposited Ni(V)/Al multilayers
The sputter deposition of alternating layers of Ni(V) and Al forms a reactive multilayer known to undergo self-propagating formation reactions when ignited. The sequential deposition process leads to nm-scale premixing of reactants at each included interface which ultimately affects multilayer exothermicity. This work performs the direct measurement of a disordered face-centered cubic (FCC) solid solution premixed phase at the interfaces of Ni(V)/Al multilayers via scanning transmission electro…

Unraveling structural and magnetic information during growth of nanocrystalline SrFe12O19
Cecilia Granados-Miralles, Matilde Saura-M\'uzquiz, Espen D. B{\o}jesen, Kirsten M. {\O}. Jensen, Henrik L. Andersen, Mogens Christensen
https://arxiv.org/abs/2506.14332

Unraveling structural and magnetic information during growth of nanocrystalline SrFe12O19
The hydrothermal synthesis of magnetic strontium hexaferrite (SrFe12O19) nanocrystallites was followed in situ using synchrotron powder X-ray diffraction. For all the studied temperatures, the formation of SrFe12O19 happened through an intermediate crystalline phase, identified as the so-called six-line ferrihydrite (FeOOH). The presence of FeOOH has been overlooked in previous studies on hydrothermally synthesized SrFe12O19, despite the phase having a non-trivial influence on the magnetic prop…

Polymorphism Crystal Structure Prediction with Adaptive Space Group Diversity Control
Sadman Sadeed Omee, Lai Wei, Sourin Dey, Jianjun Hu
https://arxiv.org/abs/2506.11332

Polymorphism Crystal Structure Prediction with Adaptive Space Group Diversity Control
Crystalline materials can form different structural arrangements (i.e. polymorphs) with the same chemical composition, exhibiting distinct physical properties depending on how they were synthesized or the conditions under which they operate. For example, carbon can exist as graphite (soft, conductive) or diamond (hard, insulating). Computational methods that can predict these polymorphs are vital in materials science, which help understand stability relationships, guide synthesis efforts, and d…

Crystal Growth & Physical Property Characterization of Mixed Topological Insulator BiSbTe$_3$
Dinesh Kumar (Banasthali), Kapil Kumar (CSIR-NPL), N. K. Karn (CSIR-NPL), Ganesh Gurjar (Ramajas - DU), V. P. S. Awana (CSIR-NPL), Sudesh (Banasthali)
https://arxiv.org/abs/2505.24471

Crystal Growth & Physical Property Characterization of Mixed Topological Insulator BiSbTe$_3$
This article reports the synthesis of a single crystalline mixed topological insulator (TI) BiSbTe$_3$ and its detailed structural and magneto-transport properties. The single crystalline samples of BiSbTe$_3$ are grown by the melt-growth process and characterized by X-ray diffraction (XRD), Energy dispersive X-ray analysis (EDAX) and Raman spectroscopy. The single crystal XRD peaks dictated the growth direction along the c-axis. The Raman spectrum elucidated the characteristic peaks of the mix…

Revisiting THz absorption in GO and rGO liquid crystalline films
A. Vasilev, M. Zhezhu, H. Parsamyan, G. Baghdasaryan, M. Sargsyan, D. A. Ghazaryan, H. Gharagulyan
https://arxiv.org/abs/2507.21535

Revisiting THz absorption in GO and rGO liquid crystalline films
With a swift progress in modern high-throughput communication systems, security, sensing and medicine utilizing THz range technologies, the demand for easy-to-fabricate, lightweight and high-performance absorbing materials has increased drastically. Notably, traditional approaches of eliminating unwanted radiation based on metasurfaces often face fabrication challenges limiting their practicality. In this study, we propose a straightforward approach for fabricating graphene oxide (GO) and reduc…

Laser-Synthesized Amorphous PdSe$_{\mathrm{2-x}}$ Nanoparticles: A Defect-Rich Platform for High-Efficiency SERS, Photocatalysis, and Photothermal Conversion
Andrei Ushkov, Nadezhda Belozerova, Dmitriy Dyubo, Ilya Martynov, Alexander Syuy, Daniil Tselikov, Georgy Ermolaev, Sergey V. Bazhenov, Roman I. Romanov, Ivan Kruglov, Anton A. Popov, Alexander Chernov, Alexey D. Bolshakov, Sergey Novikov, Andrey A. Vyshnevyy, Aleksey Arsenin, Andrei V. Kabashin, Gleb I. Tselikov, Valentyn Volkov

Laser-Synthesized Amorphous PdSe$_{\mathrm{2-x}}$ Nanoparticles: A Defect-Rich Platform for High-Efficiency SERS, Photocatalysis, and Photothermal Conversion
The control of material properties at the atomic scale remains a central challenge in materials science. Transition metal dichalcogenides (TMDCs) offer remarkable electronic and optical properties, but their functionality is largely dictated by their stable crystalline phases. Here we demonstrate a single-step, ligand-free strategy using femtosecond laser ablation in liquid to transform crystalline, stoichiometric palladium diselenide (PdSe$_{\mathrm{2}}$) into highly stable, amorphous, and non…

Strong acoustic phonon suppression leads to ultralow thermal conductivity and enhanced thermoelectric performance in BaCuGdTe$_3$
Jyoti Duhan, Chris Wolverton, Koushik Pal
https://arxiv.org/abs/2507.05831

Strong acoustic phonon suppression leads to ultralow thermal conductivity and enhanced thermoelectric performance in BaCuGdTe$_3$
Excitations and scatterings among the quantized lattice vibrations, i.e., phonons, govern the lattice thermal conductivity ($κ_l$) in crystalline solids. Therefore, effective modulation of $κ_l$ can be achieved through selective manipulation of phonon modes that strongly participate in the heat transport mechanisms. Here, combining accurate first-principles density functional theory calculations and Boltzmann transport theory, we report a layered quaternary chalcogenide semiconductor, BaCuGdT…

Optoelectronically Active GaAs/GeSn-MQW/Ge Heterojunctions Created via Semiconductor Grafting
Jie Zhou, Haibo Wang, Yifu Guo, Alireza Abrand, Yiran Li, Yang Liu, Jiarui Gong, Po Rei Huang, Jianping Shen, Shengqiang Xu, Daniel Vincent, Samuel Haessly, Yi Lu, Munho Kim, Shui-Qing Yu, Parsian K. Mohseni, Guo-En Chang, Zetian Mi, Kai Sun, Xiao Gong, Mikhail A Kats, Zhenqiang Ma

Optoelectronically Active GaAs/GeSn-MQW/Ge Heterojunctions Created via Semiconductor Grafting
Traditionally, advancements in semiconductor devices have been driven by lattice-matched heterojunctions with tailored band alignments through heteroepitaxy techniques. However, there is significant interest in expanding the capabilities of heterojunction devices, in particular utilizing extreme lattice mismatches. We demonstrate the manipulation of device behaviors and performance enhancement achievable through a lattice-mismatched, single-crystalline GaAs/GeSn-multi-quantum well (MQW)/Ge n-i-…

Absence of higher than 6-fold coordination in glassy $GeO_{2}$ up to 158 GPa revealed by X-ray absorption spectroscopy
Jo\~ao Elias F. S. Rodrigues, Angelika D. Rosa, Emin Mijit, Tetsuo Irifune, Gaston Garbarino, Olivier Mathon, Raffaella Torchio, Max Wilke
https://arxiv.org/abs/2507.04076…

Absence of higher than 6-fold coordination in glassy $GeO_{2}$ up to 158 GPa revealed by X-ray absorption spectroscopy
Simple binary oxide glasses can exhibit a compression behavior distinct from that of their crystalline counterparts. In this study, we employed high-pressure X-ray absorption spectroscopy coupled to the diamond anvil cell to investigate in detail local structural changes around Ge in glassy $GeO_{2}$ up to 158 GPa. We conducted four independent runs, both with and without pressure-transmitting media. Up to 30 GPa, we observed no significant influence of the pressure medium on the pressure depen…

Classification and enumeration of solid-solid phase transition mechanisms
Fang-Cheng Wang, Qi-Jun Ye, Yu-Cheng Zhu, Xin-Zheng Li
https://arxiv.org/abs/2506.05105

Classification and enumeration of solid-solid phase transition mechanisms
Crystal-structure match (CSM), the atom-to-atom correspondence between two crystalline phases, is used extensively to describe solid-solid phase transition (SSPT) mechanisms. However, existing computational methods cannot account for all possible CSMs. Here, we propose a formalism to classify all CSMs into a tree structure, which is independent of the choices of unit cell and supercell. We rigorously proved that only a finite number of noncongruent CSMs are of practical interest. By representin…