Tootfinder

Jetz isses soweit. Hab mir heut allen Ernstes "Das Traumschiff" angesehen.
Brauch wohl nicht mehr sagen.

Das hängt direkt gegenüber der Tür zum Herren-WC in der Kneipe.
Würde es hinter der Tür über dem Urinal hängen, würde ich einen Tippfehler vermuten...

kegg_metabolic: Metabolic networks from KEGG (2006)
109 metabolic networks of various species, as extracted from the Kyoto Encyclopedia of Genes and Genomes (KEGG) database in March 2006. Nodes are substances involved in enzymatic reactions present in the organism, and edges represent reactant-product pairs as extracted from the KEGG ligand database and matched against the present enzymes.
This network has 875 nodes and 2215 edges.
Tags: Biological, Metabolic, Unweighted

"the Fedora Council has approved the latest version of the AI-Assisted Contributions policy formally".
Whoever contributes the code is required to be fully transparent on what AI tool has been used for it.
https://www.gamingonlinux.co…

Fedora Linux project agrees to allow AI-assisted contributions with a new policy
AI generation, it's everywhere! And now it's going to be formally accepted into Fedora Linux, as per the latest approved change with a new policy.

WPP rolls out WPP Open Pro, a self-serve version of WPP Open, its AI-powered marketing platform that helps marketers build campaigns and develop creative assets (Kendra Barnett/Adweek)
https://www.adweek.com/agencies/wpp-launch…

WPP Launches a Self-Serve Version of Its AI Platform To Court Small Biz Dollars
British advertising titan WPP is rolling out a self-serve version of WPP Open, its AI marketing platform. 

Amazon-backed nuclear reactor developer X-energy raised $700M led by Jane Street, taking its total funding to $1.4B, to build 150 SMRs in the US and the UK (Jamie Smyth/Financial Times)
https://www.ft.com/content/59d9b7d5-e34b-4131-b80f-815208a2d4cc

1/4-Finale in der #ErimaGFL und Relegation im Stream auf SportEuropeTV! Aktuell läuft alles nach Plan im #AmericanFootball

Imagine being the most despicable, immoral child rapist & telling someone that Trump is the worst, most indecent person you know.
Here's a link to Epstein's email: https://jmail.world/thread/HOUSE_OVERSIGHT_031659?email=5662

I managed to capture this "nerd moment" earlier this month showing digits 1 through 8 on the clock. 🤓 🕛
I tried again on Oct. 11th to capture 1 through 11 but the temperature reading is too sensitive. Not giving up though. 🤞
#nerd #moments #clock

Unhinged CEOs are being unhinged

The Draghi Dilemma: The Right and the Wrong Way to Undertake GDPR Reform
https://fpf.org/blog/the-draghi-dilemma-the-right-and-the-wrong-way-to-undertake-gdpr-reform/
@…

I found them! Approximately 300 of them.
I haven't seen the full collection in almost ten years. Moving, kittens, small children… there have been several reasons as to why I couldn't have them all up, but now our cats are adults and wise, and we have no toddlers. It's safe to bring them all out again.
The joy! #tomtar

It's so mad to me that there is now an actual military AI drone company that named itself "STARK".
https://www.gov.uk/government/news/100-new-jobs-created-as-drone-factory-opens-in-swindon

100 new jobs created as drone factory opens in Swindon
Factory will build next-generation uncrewed systems and loitering munitions.

aktuelles #Wetter #Behrendorf #Wische 25-09-2025 17:40
Temperatur: (min: 7,5C) 14,7C (max: 17,4C)
Feuchte: 55%
Luftdruck: 1025,4 hPa (gleichbleibend)
Windrichtung: 281 Grad
Win…

Take That for Me: Multimodal Exophora Resolution with Interactive Questioning for Ambiguous Out-of-View Instructions
Akira Oyama, Shoichi Hasegawa, Akira Taniguchi, Yoshinobu Hagiwara, Tadahiro Taniguchi
https://arxiv.org/abs/2508.16143

Take That for Me: Multimodal Exophora Resolution with Interactive Questioning for Ambiguous Out-of-View Instructions
Daily life support robots must interpret ambiguous verbal instructions involving demonstratives such as ``Bring me that cup,'' even when objects or users are out of the robot's view. Existing approaches to exophora resolution primarily rely on visual data and thus fail in real-world scenarios where the object or user is not visible. We propose Multimodal Interactive Exophora resolution with user Localization (MIEL), which is a multimodal exophora resolution framework leveraging sound source loc…

college_freshmen: Dutch college freshman (1995)
A small network of friendships among freshmen at Dutch College in 1994-1995. Friendship ties were surveyed at 7 different times over the year, and each edge is timestamped. The direction of an edge indicates that person i named person j, and the edge weight represents their level of friendship, ranging from -1 (risk of conflict) to 3 (best friend).
This network has 32 nodes and 3062 edges.
Tags: Social, Offline, Weighted, Tim…

I really like the William's white nose livery for the #USGP

Yesilgöz bij Nieuwsuur ...
Best wel geinig..
Uit nood zet de VVD maar weer eens 'de economie' in als onderwerp.
Voor de rest van NL zijn er 7 onderwerpen belangrijker.
/2
#TK2025 #VVD #yesilgoz

festiverse.de --> v4.4.7
#update #Mastodon

65 Minuten nach der Landung im Hotelzimmer. Trotz rund 20 Minuten auf den Hotel-Shuttle warten.
Rekordschnelle Einreise.
Unterwegs mit Swiss free Internet sah ich zwar alle Pushs von BlueSky, aber konnte keine Posts lesen. 🤷‍♂️
#CANEast25

Leckerstes Mittagessen, wer sagt denn, Rotwein passt „nur“ zu rotem Fleisch!

Replaced article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Theoretical issues in the accurate computation of the electron-phonon interaction contribution to...
Shilpa Paul, M. P. Gururajan, Amrita Bhattacharya, T. R. S. Prasann…

@… someone (I think Oro?) messaged me telling me they've "dealt" with the situation... I checked the server again and she was still there...
I'm sorry

@… :neocat_3c:

Activist Els Rechts vindt Wilders een ‘toffe peer’ en links het gif van de samenleving | de #Volkskrant
https://www.volkskrant.nl/binnenland/ac…

#Playoffs in der #ErimaGFL Wohooo Let´s GO. #AmericanFootball

Crosslisted article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Interpretability of linear regression models of glassy dynamics
Anand Sharma, Chen Liu, Misaki Ozawa, Daniele Coslovich

age

highschool: Illinois high school students (1958)
A network of friendships among male students in a small high school in Illinois from 1958. An arc points from student i to student j if i named j as a friend, in either of two identical surveys (from Fall and Spring semesters). Edge weights are the number of surveys in which the friendship was named.
This network has 70 nodes and 366 edges.
Tags: Social, Offline, Weighted

Ausflug nach Frankfurt und jetzt noch #unicornsfootball in der #ErimaGFL im Büro anschauen. #AmericanFootball

@… will do :headpat:

Machine Learning Time Propagators for Time-Dependent Density Functional Theory Simulations
Karan Shah, Attila Cangi
https://arxiv.org/abs/2508.16554 https://

Machine Learning Time Propagators for Time-Dependent Density Functional Theory Simulations
Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under external time-dependent perturbations such as laser fields. In this work, we present a novel approach to accelerate electron dynamics simulations based on real time TDDFT using autoregressive neural operators as time-propagators for the electron density. By leveraging physics-informed constraints and featurization, and high-resolution training data, our model achieves superior accurac…

LOL of course DHH is using Hyprland for Basecamp's Arch-based distro

age

Revealing the Influence of Dopants on the Properties of Fluorite Structure Ferroelectrics
Shouzhuo Yang, David Lehninger, Markus Neuber, Amir Pourjafar, Ayse S\"unb\"ul, Anant Rastogi, Peter Reinig, Konrad Seidel, Maximilian Lederer
https://arxiv.org/abs/2508.16477

Revealing the Influence of Dopants on the Properties of Fluorite Structure Ferroelectrics
Fluorite structure ferroelectrics, especially hafnium oxide, are widely investigated for their application in non-volatile memories, sensors, actuators, RF devices and energy harvesters. Due to the metastable nature of the ferroelectric phase in these materials, dopants and process parameters need to be optimized for its stabilization. Here, we present clear evidence of how dopants affect the properties in this material system and solutions to achieve improved reliability, desired crystallizati…

LOL of course DHH is using Hyprland for Basecamp's Arch-based distro

Phonon studies of the phase transition sequence in antiferroelectric single crystal of Pb(Hf0.83Sn0.17)O3
Anirudh K. R., Cosme Milesi-Brault, Christelle Kadlec, Dmitry Nuzhnyy, Andrzej Majchrowski, Magdalena Krupska-Klimczak, Irena Jankowska-Sumara, Elena Buixaderas
https://arxiv.org/abs/2508.16472…

Phonon studies of the phase transition sequence in antiferroelectric single crystal of Pb(Hf0.83Sn0.17)O3
The sequence of phase transitions in PbHf0.83Sn0.17O3 has been studied by THz, far infrared and Raman spectroscopies, revealing the complementary behaviour of both, polar and non-polar phonons and their impact on the transition lattice dynamics. Pb atom is sensitive to all phase transitions, changing its dynamics with temperature. As temperature decreases, the crystal undergoes a sequence of three phase transitions. The first one to an intermediate (IM) phase, in which polar fluctuations are de…

Getting the manifold right: The crucial role of orbital resolution in DFT U for mixed d-f electron compounds
Kinga Warda, Eric Macke, Iurii Timrov, Lucio Colombi Ciacchi, Piotr M. Kowalski
https://arxiv.org/abs/2508.16435

Getting the manifold right: The crucial role of orbital resolution in DFT+U for mixed d-f electron compounds
Accurately modeling compounds with partially filled $d$ and $f$ shells remains a hard challenge for density-functional theory, due to large self-interaction errors stemming from local or semi-local exchange-correlation functionals. Hubbard $U$ corrections can mitigate such errors, but are often detrimental to the description of hybridized states, leading to spurious force contributions and wrong lattice structures. Here, we show that careful disentanglement of localized and delocalized states l…

Symmetries in zero and finite center-of-mass momenta excitons
Robin Bajaj, Namana Venkatareddy, H. R. Krishnamurthy, Manish Jain
https://arxiv.org/abs/2508.16409 https://…

Symmetries in zero and finite center-of-mass momenta excitons
We present a symmetry-based framework for the analysis of excitonic states, incorporating both time-reversal and space-group symmetries. We demonstrate the use of time-reversal and space-group symmetries to obtain exciton eigenstates at symmetry-related center-of-mass momenta in the entire Brillouin zone from eigenstates calculated for center-of-mass momenta in the irreducible Brillouin zone. Furthermore, by explicitly calculating the irreducible representations of the little groups, we classif…

Ab-initio investigation of the interfacial structural, electronic, and magnetic properties of Co$_{2}$MnAl/X (X = MgO and GaAs) heterostructures
Amar Kumar, Mitali, Sujeet Chaudhary, Sharat Chandra
https://arxiv.org/abs/2508.16395

Ab-initio investigation of the interfacial structural, electronic, and magnetic properties of Co$_{2}$MnAl/X (X = MgO and GaAs) heterostructures
The structural, electronic, and magnetic properties of (100)-oriented Co$_{2}$MnAl/MgO and Co$_{2}$MnAl/GaAs heterostructures are investigated using plane-wave pseudopotential density functional theory. For the Co$_{2}$MnAl/MgO, CoCo-MgMg, CoCo-OO, MnAl-MgMg, and MnAl-OO interfaces in top-to-top configurations are studied, while for Co$_{2}$MnAl/GaAs, both top-to-top (Co-Ga, Co-As, Mn-Ga, Mn-As, Al-Ga, Al-As) and bridge-site (CoCo-Ga, CoCo-As, MnAl-Ga, MnAl-As) interfaces are considered. The in…

Deformation mechanisms of L-PBF-processed Ti-6Al-4V investigated using a combined experimental and simulation approach
Pushkar Prakash Dhekne, Nikhil Prabhu, Matthias B\"onisch, Marc Seefeldt, Martin Diehl, Kim Vanmeensel
https://arxiv.org/abs/2508.16367

Deformation mechanisms of L-PBF-processed Ti-6Al-4V investigated using a combined experimental and simulation approach
Despite the significant application potential of laser powder bed fusion (L-PBF) processed Ti-6Al-4V components, a detailed understanding of their deformation mechanisms remains limited. This study investigates the deformation behavior of the {α^\prime} and α phases in the as-built and heat-treated specimens, respectively, using in-situ high-energy X-ray diffraction (HEXRD) combined with crystal plasticity modeling. Both phases exhibited similar elastic anisotropy, with the highest modulus al…

First-principles many-body study for electronic, optical, and excitonic properties of RbTlCl3 perovskite for solar cells
Siddharth, Vinod Kumar Solet, Sudhir K. Pandey
https://arxiv.org/abs/2508.16264 …

First-principles many-body study for electronic, optical, and excitonic properties of RbTlCl3 perovskite for solar cells
We present a detailed many-body ab initio study of the valence-skipper RbTlCl$_{3}$ perovskite compound for photovoltaic (PV) applications. The electronic and optical properties, both with and without spin-orbit coupling, have been calculated using density functional theory (DFT) and many-body excited-state calculations. The band gap, which is indirect in nature, is found to be 0.95 eV and 0.89 eV from PBE and PBEsol, respectively. The optical properties have been computed using four different …

Do 1-dimensional metals prefer to form even-numbered van der Waals clusters ?
Subhojit Pal, John F. Dobson
https://arxiv.org/abs/2508.16214 https://arxiv.o…

Do 1-dimensional metals prefer to form even-numbered van der Waals clusters ?
Parallel quasi-one-dimensional metals are known to experience strong dispersion (van der Waals, vdW) interactions that fall off unusually slowly with separation between the metals. Examples include nanotube brushes, nano-wire arrays, and also common biological structures. In a many-stranded bundle, there are potentially strong multi-strand vdW interactions that go beyond a simple sum of negative (attractive) pairwise inter-strand energies. Perturbative analysis showed that these contributions a…

On the nature and charge state of the X-Defect, a radiation-induced Silicon defect with field-enhanced charge carrier emission
Niels Sorgenfrei, Yana Gurimskaya, Anja Himmerlich, Michael Moll, Ulrich Parzefall, Ioana Pintilie, Joern Schwandt
https://arxiv.org/abs/2508.16197

On the nature and charge state of the X-Defect, a radiation-induced Silicon defect with field-enhanced charge carrier emission
The elusive X-Defect, a defect found in low-resistivity $p$-type Silicon after irradiation, observed as a low-temperature shoulder of the $\mathrm{B}_\mathrm{i}\mathrm{O}_\mathrm{i}$ defect (Boron-interstitial-Oxygen-interstitial complex) in Thermally Stimulated Current (TSC) measurements, was investigated to determine its properties, matching them with those of a previously identified defect. Through a combination of TSC, Deep-Level Transient Spectroscopy (DLTS), Difference-DLTS (DDLTS), numer…

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…

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…

Enhanced thermopower in a magnetic semiconductor EuTe4 with multiple charge-density-wave instabilities/
Hidefumi Takahashi, Kiichiro Yoshida, Akitoshi Nakano, Shintaro Ishiwata
https://arxiv.org/abs/2508.16017

Enhanced thermopower in a magnetic semiconductor EuTe4 with multiple charge-density-wave instabilities/
We investigate the layered magnetic semiconductor EuTe4, focusing on its intricate charge-density wave (CDW) states near and above room temperature through single-crystal X-ray diffraction (XRD), magnetic, and thermoelectric measurements.The XRD measurement revealed that the CDW state inducing the polar lattice distortion persists even at 650 K, demonstrating its remarkable thermal stability. Notably, the Seebeck coefficient near room temperature reaches values exceeding 500 uVK-1. This large S…

FIRE-GNN: Force-informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties
Circe Hsu, Claire Schlesinger, Karan Mudaliar, Jordan Leung, Robin Walters, Peter Schindler
https://arxiv.org/abs/2508.16012

FIRE-GNN: Force-informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties
The work function and cleavage energy of a surface are critical properties that determine the viability of materials in electronic emission applications, semiconductor devices, and heterogeneous catalysis. While first principles calculations are accurate in predicting these properties, their computational expense combined with the vast search space of surfaces make a comprehensive screening approach with density functional theory (DFT) infeasible. Here, we introduce FIRE-GNN (Force-Informed, Re…

A simulation-based training framework for machine-learning applications in ARPES
MengXing Na, Chris Zhou, Sydney K. Y. Dufresne, Matteo Michiardi, Andrea Damascelli
https://arxiv.org/abs/2508.15983

A simulation-based training framework for machine-learning applications in ARPES
In recent years, angle-resolved photoemission spectroscopy (ARPES) has advanced significantly in its ability to probe more observables and simultaneously generate multi-dimensional datasets. These advances present new challenges in data acquisition, processing, and analysis. Machine learning (ML) models can drastically reduce the workload of experimentalists; however, the lack of training data for ML -- and in particular deep learning -- is a significant obstacle. In this work, we introduce an …

High temporal stability of niobium superconducting resonators by surface passivation with organophosphonate self-assembled monolayers
Harsh Gupta, Rui Pereira, Leon Koch, Niklas Bruckmoser, Moritz Singer, Benedikt Schoof, Manuel Kompatscher, Stefan Filipp, Marc Tornow
https://arxiv.org/abs/2508.15957…

High temporal stability of niobium superconducting resonators by surface passivation with organophosphonate self-assembled monolayers
One main limiting factor towards achieving high coherence times in superconducting circuits is two level system (TLS) losses. Mitigating such losses requires controlling the formation of native oxides at the metal-air interface. Here, we report the growth of alkyl-phosphonate self-assembled monolayers (SAMs) on Nb thin films following oxide removal. The impact of passivation was evaluated via the performance of coplanar waveguide resonators at 10mK, in terms of quality factor and resonant frequ…

Hybrid Monte Carlo Metadynamics (hybridMC-MetaD)
Charlotte Shiqi Zhao, Sun-Ting Tsai, Sharon C. Glotzer
https://arxiv.org/abs/2508.15942 https://arxiv.org/…

Hybrid Monte Carlo Metadynamics (hybridMC-MetaD)
We propose the powerful integration of the Hybrid Monte Carlo (hybridMC) algorithm and Well-Tempered Metadynamics. This new algorithm, hybridMC-MetaD, enhances the flexibility and applicability of metadynamics by allowing for the utilization of a wider range of collective variables (CVs), namely non-differentiable CVs. We demonstrate the usage of hybridMC-MetaD through five examples of rare events in molecular dynamics (MD) simulations, including a rare transition in a model potential system, c…

Modeling Energy- and Momentum-dependent Scattering Relaxation Times in a Semi-Classical Model of Charge Transport using the Self-Scattering Technique
H. A. McDonough, Nicholas A. Mecholsky
https://arxiv.org/abs/2508.15927

Modeling Energy- and Momentum-dependent Scattering Relaxation Times in a Semi-Classical Model of Charge Transport using the Self-Scattering Technique
Improvement of numerical methods for calculating charge transport quantities of materials from the Boltzmann transport equation (BTE) is important for prediction of material properties. In particular, techniques which allow for more accurate models of scattering rates and band structures while remaining less computationally involved are valuable. The self-scattering technique is one such technique for implementing energy- and momentum-dependent scattering relaxation times in Monte Carlo simulat…

Wiener Hopf Analysis of Transient Mode-I/Mode-II Fracture in Rotating Heterogeneous Magnetoelastic Orthotropic Media under Initial Stresses
Diksha, Soniya Chaudhary, Pawan Kumar Sharma
https://arxiv.org/abs/2508.15870

Wiener Hopf Analysis of Transient Mode-I/Mode-II Fracture in Rotating Heterogeneous Magnetoelastic Orthotropic Media under Initial Stresses
This study investigates the fracture behavior under both opening (Mode I) and in-plane sliding (Mode II) conditions for a semi-infinite crack in a rotating, spatially graded magnetoelastic orthotropic strip with combined horizontal and vertical initial normal stresses. The strip is assumed infinite in extent, with the crack aligned along its longitudinal axis and parallel to the rotation axis. The governing field equations are reduced to an analytically tractable form by employing the Fourier t…

[2025-08-25 Mon (UTC), 19 new articles found for cond-mat.mtrl-sci Materials Science]
toXiv_bot_toot

Molecular Insights into Caprock Integrity of Subsurface Hydrogen Storage: Perspective on Hydrogen-induced Swelling and Mechanical Response
Mehdi Ghasemi, Mohamad Ali Ghafari, Masoud Babaei, Valentina Erastova
https://arxiv.org/abs/2509.19283

Atomistic mechanisms of oxidation and chlorine corrosion in Ni-based superalloys: The role of boron and light interstitial segregation
Tyler D. Dole\v{z}al, Rodrigo Freitas, Ju Li
https://arxiv.org/abs/2509.19232

Atomistic mechanisms of oxidation and chlorine corrosion in Ni-based superalloys: The role of boron and light interstitial segregation
Hybrid Monte Carlo and molecular dynamics simulations were used to investigate the interaction of light interstitials in multi-element Ni-based alloys. We show that light interstitials such as boron and oxygen fundamentally alter interfacial chemistry by reshaping alloy-element distribution and segregation. Oxygen adsorption drove boron migration from the grain boundary to the free surface, where it co-enriched with Cr, Fe, and Mo and formed BO3 trigonal motifs embedded within mixed-metal oxide…

First principles band structure of interacting phosphorus and boron/aluminum $\delta$-doped layers in silicon
Quinn T. Campbell, Andrew D. Baczewski, Shashank Misra, Evan M. Anderson
https://arxiv.org/abs/2509.19205

Detachment limited interlayer transport processes during SrTiO3 pulsed laser epitaxy
Jeffrey G. Ulbrandt, Xiaozhi Zhang, Randall L. Headrick
https://arxiv.org/abs/2509.19181 htt…

Detachment limited interlayer transport processes during SrTiO3 pulsed laser epitaxy
Pulsed laser epitaxial growth is characterized by high instantaneous deposition rates that leads to the nucleation of transient islands, both on surface terraces, and on top of stable islands formed during previous deposition pulses. We report results from combined in-situ X-ray reflectivity and kinetic Monte Carlo (kMC) simulations. Specular reflectivity monitors interlayer transport, while diffuse scattering reveals the evolution of in-plane length scales, both during the recovery time betwee…

Optical probing of charge traps in organic field-effect transistors
Dean Kos, Marta Mas-Torrent
https://arxiv.org/abs/2509.19155 https://arxiv.org/pdf/2509…

Exploring Cation Selection and Disorder within Entropy-Driven $A_{6}B_{2}$O$_{17}$ ($A$=Zr/Hf, $B$=Nb/Ta) Oxides
Jacob T. Sivak, R. Jackson Spurling, Jon-Paul Maria, Susan B. Sinnott
https://arxiv.org/abs/2509.19132

First principles and scanning tunneling spectroscopical evidences for thermodynamically stable "on-top" sulfur divacancy in monolayer WS$_{2}$
Weiru Chen, John C. Thomas, Yihuang Xiong, Zhuohang Yu, Da Zhou, Shalini Kumari, Zhongwei Dai, Joshua A. Robinson, Mauricio Terrones, Archana Raja, Sin\'ead Griffin, Alexander Weber-Bargioni, Geoffroy Hautier

Trends in the electronic structure of borophene polymorphs
Alam Osorio, Lucia Reining, Francesco Sottile
https://arxiv.org/abs/2509.19106 https://arxiv.org…

Anharmonicity-driven phonon avoided crossing and anomalous thermal transport in nodal-line semimetal ZrSiS
Xin Jin, Qingqing Zhang, Dengfeng Li, Zhenxiang Cheng, Jianli Wang, Xuewei Lv, Xiaoyuan Zhou, Rui Wang, Xianyong Ding, Peng Yu, Xiaolong Yang
https://arxiv.org/abs/2509.19081

A Methodological Study on Data Representation for Machine Learning Modelling of Thermal Conductivity of Rare-Earth Oxides
Amiya Chowdhury, Acacio Rinc\'on Romero, Eduardo Aguilar-Bejarano, Halar Memon, Grazziela Figueredo, Tanvir Hussain
https://arxiv.org/abs/2509.18951

Magnetic Ordering in Moir\'e Graphene Multilayers from a Continuum Hartree U Approach
Christopher T. S. Cheung, Valerio Vitale, Lennart Klebl, Ammon Fischer, Dante M. Kennes, Arash A. Mostofi, Johannes Lischner, Zachary A. H. Goodwin
https://arxiv.org/abs/2509.18923

Nanoscale Strain Evolution and Grain Boundary-Mediated Defect Sink Behavior in Irradiated SiC: Insights from N-PED and DFT
Nabil Daghbouj, Ahmed. T. AlMotasem, Jan. Ducho\v{n}b, Bingsheng. Li, Mohamed. Bensalem, Frans. Munnik, Xin Ou, Anna. Mackov\'a, William. J. Weber, Tomas. Polcara
https://arxiv.org/abs/2509.18895

Chemistry and physics of layered oxychalcogenides containing an anti-cuprate type square lattice
Nicola Kelly
https://arxiv.org/abs/2509.18870 https://arxi…

Giant optical anisotropy in CrSBr from giant exciton oscillator strength
Georgy Ermolaev, Tagir Mazitov, Arslan Mazitov, Adilet Toksumakov, Dmitriy Grudinin, Anton Minnekhanov, Gleb Tselikov, Dmitry Yakubovsky, Gleb Tikhonowski, Nikolay Pak, Umer Ahsan, Aleksandr Slavich, Mikhail Mironov, Alexey Tsapenko, Andrey Vyshnevyy, Ivan Kruglov, Zdenek Sofer, Aleksey Arsenin, Kostya Novoselov, Andrey Katanin, Valentyn Volkov

Sub-nanosecond heat-based logic, writing and reset in an antiferromagnetic magnetoresistive memory
M. Surynek, A. Farkas, J. Zubac, P. Kubascik, K. Olejnik, F. Krizek, L. Nadvornik, T. Ostatnicky, R. P. Campion, V. Novak, T. Jungwirth, P. Nemec
https://arxiv.org/abs/2509.18855

Quantum-to-classical transition and H-theorem in surface diffusion
E. E. Torres-Miyares, S. Miret-Art\'es
https://arxiv.org/abs/2509.18844 https://arxi…

Asymmetrical Defect Sink Behaviour of HCP/BCC Zr/Nb Multilayer Interfaces: Bubble-Denuded Zones at Nb Layers
Nabil. Daghbouj, H. S. Sen, Mohamed BenSalem, Jan. Ducho\v{n}c, Bingsheng. Li, Miroslav. Karl\'ik, F. Ge, Vladimir. Krsjak, Petr. B\'aborh, M. O. Liedke, M. Butterling, Alexandre. Wagner, Bora. Karasulub, Tomas. Polcarak
https://

Asymmetrical Defect Sink Behaviour of HCP/BCC Zr/Nb Multilayer Interfaces: Bubble-Denuded Zones at Nb Layers
Radiation induced helium bubble formation poses a major challenge to the structural integrity of materials in nuclear energy systems. In this study, we investigate defect evolution and He behavior in ZrNb nanoscale metallic multilayers with immiscible BCC and HCP interfaces, irradiated with 80 keV He ions. For comparison, single crystal Nb and polycrystalline Zr were also irradiated under identical conditions to serve as reference materials. Using cross sectional TEM, SIMS, STEM EELS, nanoinden…

Spin defects in hexagonal boron nitride as two-dimensional strain sensors
Z. Mu, Z. Zhang, J. Frauni\'e, C. Robert, G. Seine, B. Gil, G. Cassabois, V. Jacques
https://arxiv.org/abs/2509.18745

A basis-free, octonionic criterion for Weyl points in solids
Christian Tantardini
https://arxiv.org/abs/2509.18678 https://arxiv.org/pdf/2509.18678

Beyond Bloch: A Theoretical Blueprint for Conjugated Polymer Optoelectronics
Miguel Lagos, Miguel Kiwi, Rodrigo Paredes
https://arxiv.org/abs/2509.18663 https://

Quaternary crystals CdZnTeSe: Growth via the vertical Bridgman method with different compositions of raw materials
S. V. Naydenov, O. K. Kapustnyk, I. M. Pritula, D. S. Sofronov, I. S. Terzin, N. O. Kovalenko
https://arxiv.org/abs/2509.18634

Octahedral dynamics and local symmetry in hybrid perovskite FAPbI3 under thermal excitation
H. Joshi, K. C. Bhamu, A. Shankar, Rana Biswas, M. Wlaz{\l}o
https://arxiv.org/abs/2509.18617

A closed-loop AI framework for hypothesis-driven and interpretable materials design
Kangyu Ji, Tianran Liu, Fang Sheng, Shaun Tan, Moungi Bawendi, Tonio Buonassisi
https://arxiv.org/abs/2509.18604

Large Anomalous and Topological Hall Effect and Nernst Effect in a Dirac Kagome Magnet Fe3Ge
Chunqiang Xu, Shuvankar Gupta, Hengxin Tan, Hyeonhu Bae, Olajumoke Oluwatobiloba Emmanuel, Mingyu Xu, Yan Wu, Xiaofeng Xu, Pengpeng Zhang, Weiwei Xie, Binghai Yan, Xianglin Ke
https://arxiv.org/abs/2509.18590…

Optical properties of popular dielectric substrate materials in a wide spectral range from far-infrared to ultraviolet
Minjae Kim, Hong Gu Lee, Jungseek Hwang
https://arxiv.org/abs/2509.18556

Optical properties of popular dielectric substrate materials in a wide spectral range from far-infrared to ultraviolet
We investigated the optical properties of 13 different dielectric materials (slide glass, quartz, Al2O3 (c-cut), DyScO3 (110), KTaO3 (001), LaAlO3 (001), (LaAlO3)0.3-(Sr2AlTaO6)0.7 (001) (LSAT), MgF2 (100), MgO (100), SiC, SrTiO3 (001), TbScO3 (110), and TiO2). The single-bounce reflectance spectra of the bulk samples were measured using Fourier transform infrared (FTIR) and monochromatic spectrometers across a wide spectral range, from far infrared to ultraviolet (80-50,000 cm-1). Using the Kr…

Optical properties of RCd3P3 (R: Ce or La) compounds: Insulator-metal transition induced by displacement of atoms in the unit cell
Jaekyung Jang, Yu-Seong Seo, Jeonghun Lee, Eundeok Mun, Jungseek Hwang
https://arxiv.org/abs/2509.18549

Zero-field Anomalous Hall Effect in Bulk Single Crystal Mn3Ir
Xin Gu, Ruoqi Wang, Bo Zhao, Haofu Wen, Kunquan Hong, Shijun Yuan, Taishi Chen, Jinlan Wang
https://arxiv.org/abs/2509.18485

Er$_\mathrm{Al}$:Al$_2$O$_3$ for Telecom-Band Photonics: Electronic Structure and Optical Properties
Mahtab A. Khan, Jayden D. Craft, Hari P. Paudel, Yuhua Duan, Dirk R. Englund, Michael N. Leuenberger
https://arxiv.org/abs/2509.18409

Er$_\mathrm{Al}$:Al$_2$O$_3$ for Telecom-Band Photonics: Electronic Structure and Optical Properties
Er-doped Al$_2$O$_3$ is a promising host for telecom-band integrated photonics. Here we combine ab initio calculations with a symmetry-resolved analysis to elucidate substitutional Er on the Al site (Er$_\mathrm{Al}$) in $α$-Al$_2$O$_3$. First-principles relaxations confirm the structural stability of Er$_\mathrm{Al}$. We then use the local trigonal crystal-field symmetry to classify the Er-derived impurity levels by irreducible representations and to derive polarization-resolved electric-dipo…

Quantifying the reactivity of isolated LixSi domains in Si anodes using operando NMR
Evelyna Wang, Marco-Tulio F. Rodrigues, Baris Key
https://arxiv.org/abs/2509.18352 https://

Nonthermal magnetization pathways in photoexcited semiconductors
Giovanni Marini
https://arxiv.org/abs/2509.18335 https://arxiv.org/pdf/2509.18335

All-magnonic neurons for analog artificial neural networks
David Breitbach, Moritz Bechberger, Hanadi Mortada, Bj\"orn Heinz, Roman Verba, Qi Wang, Carsten Dubs, Mario Carpentieri, Giovanni Finocchio, Davi Rodrigues, Alexandre Abbass Hamadeh, Philipp Pirro
https://arxiv.org/abs/2509.18321

Cyclo-Graphyne: A Highly Porous and Semimetallic 2D Carbon Allotrope with Dirac Cones
Jhionathan de Lima, Cristiano Francisco Woellner
https://arxiv.org/abs/2509.18299 https://

[2025-09-24 Wed (UTC), 32 new articles found for cond-mat.mtrl-sci Materials Science]
toXiv_bot_toot

Replaced article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Modeling metamaterials by second-order rate-type constitutive relations between only the macrosco...
V\'it Pr\r{u}\v{s}a, Casey Rodriguez, Ladislav Trnka, Martin Ve…

Crosslisted article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Interplay of Rashba and valley-Zeeman splittings in weak localization of spin-orbit coupled graphene
L. E. Golub

Replaced article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Fabrication of self-powered photodetector materials based on Ni-doped ZnO/p-Si heterojunctions
Eka Nurfani, Aldi Saputra, Novalia Pertiwi, Muhamad F. Arif

Crosslisted article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Dynamical correlation effects in twisted bilayer graphene under strain and lattice relaxation
Crippa, Rai, C\u{a}lug\u{a}ru, Hu, Herzog-Arbeitman, Bernevig, Valent\&…

4D-QENS Analysis of Correlated Ionic Conduction in SrCl$_2$
Jared Coles, Omar Chmaissem, Matthew Krogstad, Daniel M. Pajerowski, Feng Ye, Duck Young Chung, Mercouri G. Kanatzidis, Stephan Rosenkranz, Raymond Osborn
https://arxiv.org/abs/2509.20312

4D-QENS Analysis of Correlated Ionic Conduction in SrCl$_2$
Methods of elucidating the mechanisms of fast-ion conduction in solid-state materials are pivotal for advancements in energy technologies such as batteries, fuel cells, sensors, and supercapacitors. In this study, we examine the ionic conduction pathways in single crystal SrCl$_2$, which is a fast-ion conductor above 900~K, using four-dimensional Quasi-Elastic Neutron Scattering (4D-QENS). We explore both coherent and incoherent neutron scattering at temperatures above the transition temperatur…

AMaRaNTA: Automated First-Principles Exchange Parameters In 2D Magnets
Federico Orlando (Physics Department - Politecnico di Milano, Milan, Italy, Consiglio Nazionale delle Ricerche CNR-SPIN, c/o Universit\`a degli Studi "G. D'Annunzio", Chieti, Italy), Andrea Droghetti (Department of Molecular Sciences and Nanosystems, Ca' Foscari University of Venice, Venice, Italy, Consiglio Nazionale delle Ricerche CNR-SPIN, c/o Universit\`a degli Studi "G. D'Annunzio&quo…

AMaRaNTA: Automated First-Principles Exchange Parameters In 2D Magnets
Two-dimensional (2D) magnets host a wide range of exotic magnetic textures, whose low-energy excitations and finite-temperature properties are typically described by effective spin models based on Heisenberg-like Hamiltonians. A key challenge in this framework is the reliable determination, from ab initio calculations, of exchange parameters and their anisotropic components, crucial for stabilising long-range order. Among the different strategies proposed for this task, the energy-mapping metho…

A follow-up on the sulphur atom popping model for MoS$_2$ memristor
Sanchali Mitra, Santanu Mahapatra
https://arxiv.org/abs/2509.20179 https://arxiv.org/pd…

A follow-up on the sulphur atom popping model for MoS$_2$ memristor
The mechanism of resistive switching in two-dimensional (2D) semiconductor-based memristors is intriguing, and our conventional knowledge of bulk-oxide based memristors does not apply to these devices. Experimental data indicate that the genesis of resistive switching may be intrinsic to the 2D semiconducting active layer, as well as resulting from the movement of electrode atoms. Employing reactive-force field (ReaxFF) molecular dynamics simulations, we introduced the "sulphur atom popping mod…

Massive Discovery of Low-Dimensional Materials from Universal Computational Strategy
Mohammad Bagheri, Ethan Berger, Hannu-Pekka Komsa, Pekka Koskinen
https://arxiv.org/abs/2509.20164

Massive Discovery of Low-Dimensional Materials from Universal Computational Strategy
Low-dimensional materials have attractive properties that drive intense efforts for novel materials discovery. However, experiments are tedious for systematic discovery, and present computational methods are often tuned to two-dimensional (2D) materials, overlooking other low-dimensional materials. Here, we combined universal machine-learning interatomic potentials (UMLIPs) and an advanced, interatomic force constant (FC) -based dimensionality classification method to make a massive discovery o…

Unveiling the magnetic behavior of C$_{\rm3}$N$_{\rm4}$ 2D material by defect creation, defect passivation, and transition metal adsorption
Taoufik Sakhraoui, Franti\v{s}ek Karlick\'y
https://arxiv.org/abs/2509.20156

Unveiling the magnetic behavior of C$_{\rm3}$N$_{\rm4}$ 2D material by defect creation, defect passivation, and transition metal adsorption
Using the density functional tight binding method (DFTB) and the GFN1-xTB (Geometries, Frequencies, and Noncovalent interactions Tight Binding) Hamiltonian, we have investigated the structural, electronic and magnetic properties of vacancy defects, hydrogen and oxygen passivated defects, and Fe adsorption in two-dimensional (2D) graphitic carbon nitride (gt-C$_3$N$_4$) 2D material. The ring shape is the most preferred vacancy evolution path, with significant stability of the semicircle fourfold…

Single crystal growth, structural and physical properties, and absence of a charge density wave in Ti_{0.85}Fe6Ge6
Dechao Cheng, Nour Maraytta, Xiuhua Chen, Xizhi Li, Xueliang Wu, Xiangxiang Jing, Yong Hu, Youpin Gong, Mingquan He, Yisheng Chai, Xiaoyuan Zhou, Pengfei Jiang, Yilin Wang, Michael Merz, Aifeng Wang
https://arxiv.org/abs/2509.…

Single crystal growth, structural and physical properties, and absence of a charge density wave in Ti_{0.85}Fe6Ge6
Kagome materials with charge density waves (CDWs) are fascinating quantum systems, offering an ideal platform to explore intertwined orders and to uncover novel mechanisms behind CDW formation. Chemical models have been developed and applied to predict CDW in $AM_6X_6$-type kagome materials, such as the rattling chain model based on ScV6Sn6 and the magnetic energy-saving model based on FeGe. In this study, we successfully synthesized Ti_{0.85}Fe6Ge6 single crystals using the vapor transport met…

Intrinsic Electro-Optic Kerr Rotation
Erlend Sylju{\aa}sen, Alireza Qaiumzadeh, Rembert A. Duine, Arne Brataas
https://arxiv.org/abs/2509.20139 https://arx…

Intrinsic Electro-Optic Kerr Rotation
We uncover a previously overlooked contribution to the electro-optic Kerr rotation of reflected light, arising from the interplay of matter, the static electric field, and the magnetic component of light. Remarkably, this mechanism dominates in isotropic nonmagnetic homogeneous metals. We derive analytical expressions for the Kerr rotation in both two-dimensional layers and semi-infinite systems. Within the relaxation-time approximation, we predict experimentally accessible signal magnitudes. T…

Multipole analysis of spin currents in altermagnetic MnTe
Ryosuke Hirakida, Karma Tenzin, Chao Chen Ye, Berkay Kilic, Carmine Autieri, Jagoda S{\l}awi\'nska
https://arxiv.org/abs/2509.20120

Multipole analysis of spin currents in altermagnetic MnTe
Altermagnets, a class of unconventional antiferromagnets where antiparallel spins are connected by combined rotational and translational symmetries, have recently emerged as promising candidates for spintronic applications, as they can efficiently generate spin currents while maintaining vanishing net magnetization. Here, we investigate charge transport and spin currents in $α$-MnTe, a prototypical altermagnet, using symmetry analysis within the multipole framework and fully relativistic first…