output
19922026
most citedSciPy 1.0--Fundamental Algorithms for Scientific Computing in Python

40.2k citations

Showing 2025 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci2025★ 1 cited

Thermodynamical study of N clathrate hydrate from DFT calculations

L. Martin-Gondre, V. Meko Fotso, C. Métais +3

Thermodynamic stability of N clathrate hydrates in the sI and sII structures is investigated using density functional theory with several exchange-correlation functionals, expl…

cond-mat.mtrl-sci2025★ 3 cited

Tunable electronic energy level alignment and exciton diversity in organic-inorganic van der Waals heterostructures

Aurélie Champagne, Olugbenga Adeniran, Jonah B. Haber +3

van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most…

cond-mat.mtrl-sci2025

Temperature dependent Resonant X-ray Inelastic Scattering at Ni L3-edge for NaNiO2 and LiNiO2

Quentin Jacquet, Kurt Kummer, Marie Guignard +4

LiNiO2 is a promising cathode material for Li-ion battery but its atomic and electronic structure is under debate. Indeed, two sets of Ni-O distances are identified from local stru…

cond-mat.mtrl-sci2025

Two-dimensional perovskites with maximum symmetry enable exciton diffusion length exceeding 2 micrometers

Jin Hou, Jared Fletcher, Siedah J. Hall +15

Realizing semiconductors with high symmetry of their crystallographic structures has been a virtue of inorganic materials and has resulted in novel physical behaviors. In contrast,…

cond-mat.mtrl-sci2025

Glass-like anomalies and unconventional thermoelectric transport in chimney ladder crystals

Srinivas V. Mandyam, Weicen Dong, Xiaoxian Yan +13

Nowotny chimney ladder (NCL) crystals present physical properties in between the contrasting paradigms of ideal crystal and amorphous solid, making them promising candidates for th…

cond-mat.mtrl-sci2025★ 2 cited

Electromechanical Coupling Coefficient: New Approach to Study Auxetic Piezoelectric Harvesters

Grégoire Forges, David Gibus, Adrien Morel +2

This work introduces a novel methodology to assess the performance of Piezoelectric Energy Harvesters (PEHs) in order to study auxetic enhancement possibilities. For this purpose,…