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@arXiv_physicschemph_bot@mastoxiv.page
2026-03-26 08:08:22

Application of the aperiodic defect model to a negatively charged monovacancy in phosphorene
Charlotte Rickert, Lily Barta, Ernst-Christian Flach, Daniel Kats, Denis Usvyat
arxiv.org/abs/2603.23761 arxiv.org/pdf/2603.23761 arxiv.org/html/2603.23761
arXiv:2603.23761v1 Announce Type: new
Abstract: We apply the recently introduced aperiodic defect model (ADM) to a negatively charged monovacancy in a phosphorene monolayer. In contrast to conventional supercell approaches, the ADM treats a single defect embedded in the true non-defective crystalline mean field thereby avoiding spurious defect-defect interactions and the need for charge corrections. At the same time, it effectively reduces the calculation to a fragment, enabling the use of high-level molecular electronic-structure methods. Converging the Hartree-Fock and correlation contributions to the thermodynamic limit yields a benchmark CCSD(T)/POB-TZVP-rev2 formation energy of 0.91 eV for the negatively charged monovacancy in the (5|9) configuration. The excitation energy to the lowest singlet excited state of this defect at the EOM-CCSD/POB-TZVP-rev2 level is found to be 1.95 eV. Overall, the ADM provides a highly promising route towards quantitatively accurate and systematically improvable descriptions of defects in solids and on surfaces, bridging the gap between solid-state physics and molecular quantum chemistry.
toXiv_bot_toot

@leftsidestory@mstdn.social
2026-04-21 00:30:02

City Silhouettes III 🏙️
城市轮廓线 III 🏙️
📷 Pentax 6x7
🎞️ Lucky SHD 400 (6x7)
If you like my work, Support by buying me a coffee or a roll of film from PayPal paypal.com/paypalme/ydcdingsite

Lucky LUCKY SHD 400 (6x7) English A close-up of a corrugated metal wall with a neon sign that reads "Film Never Die" in large, bold letters. The sign is illuminated and stands out against the textured, industrial surface of the wall. Below the main sign, there is a smaller sticker or label with the same text. The background is slightly blurred, but another sign with partial text "Grain is Good" is visible. 中文 一面瓦楞金属墙的特写，墙上有一个霓虹灯标志，用粗体大字写着“Film Never Die”。这个发光的标志在粗糙的工业金属墙面上非常显眼。主标志下方有一个较小的贴纸…
Lucky LUCKY SHD 400 (6x7) English A shadow of a tree branch is cast sharply against a brick wall. The shadow creates a striking, abstract pattern, with the branches extending diagonally across the wall. The wall itself is made of uniformly laid bricks, and some greenery is visible at the bottom right corner, suggesting the presence of plants or a garden nearby. 中文 一根树枝的影子清晰地投射在一面砖墙上。影子形成了一个鲜明的抽象图案，树枝斜向延伸穿过墙面。墙本身由整齐的砖块砌成，右下角可见一些绿色植物，暗示附近有植物或花园。
Lucky LUCKY SHD 400 (6x7) English A narrow, dimly lit alleyway in an urban setting. The alley is flanked by old, weathered buildings with visible wear and peeling paint. Overhead, a network of electrical wires and makeshift awnings can be seen. The ground is paved with bricks, some of which appear damp or stained. The alley extends into the distance, creating a sense of depth and leading the eye toward a brighter area at the end. 中文 一个狭窄、光线昏暗的城市小巷。巷子两侧是老旧、风化的建筑，墙面有明显的磨损和剥落的油漆。头顶上方有电线和临时搭建的遮…
Lucky LUCKY SHD 400 (6x7) English An outdoor scene featuring a historic building with a distinctive architectural style, including arched windows and a pitched roof. The building is constructed of brick and stone. In the foreground, bare trees frame the scene, and a few people can be seen walking near the building. The sky is clear, and the overall atmosphere is calm. 中文 一个户外场景，主体是一栋具有独特建筑风格的历史建筑，建筑上有拱形窗户和斜屋顶。建筑由砖石砌成。前景中光秃秃的树木框出了这个场景，几个人在建筑附近行走。天空晴朗，整体氛围宁静。
@daniel@social.telemetrydeck.com
2026-02-14 11:12:11

Heute Prüf Demo, wer kommt?

Ein Schild auf dem „Karl Popper Ultras“ steht
Rückseite des Schildes. Text: „Bitte fragen Sie mich, was mein sehr intellektuelles Schild bedeutet — ich erkläre das wirklich sehr gerne, und gerade moralische Konzepte gehören rigoros und konsequent geprüft!“
@Mediagazer@mstdn.social
2026-02-01 17:01:10

NBCU says some brands are paying a record $10M for 30-second Super Bowl ad slots this year, with advertisers paying an average of $8M, matching 2025's peak (Daniel Thomas/Financial Times)
ft.com/content/44e59e86-cd65-4