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

40.2k citations

Showing 2021 · cond-mat.mtrl-sciShow all

6 papers · 2 filters

cond-mat.mtrl-sci2021★ 51 cited

Phase Stability and Sodium-Vacancy Orderings in a NaSICON Electrode

Ziliang Wang, Sunkyu Park, Zeyu Deng +7

We elucidate the thermodynamics of sodium (Na) intercalation into the sodium super-ionic conductor (NaSICON)-type electrode, NaV(PO), for promising Na-ion batteries…

cond-mat.mtrl-sci2021★ 5 cited

Dewetting of a thin polymer film under shear

Kheireddine Kadri, Jorge Peixinho, Thomas Salez +2

The objective of this work is to study the role of shear on the rupture of ultrathin polymer films. To do so, a finite-difference numerical scheme for the resolution of the thin fi…

cond-mat.mtrl-sci2021★ 7 cited

Effect of characteristic size on the collective phonon transport in crystalline GeTe

Kanka Ghosh, Andrzej Kusiak, Jean-Luc Battaglia

We study the effect of characteristic size variation on the phonon thermal transport in crystalline GeTe for a wide range of temperatures using the first-principles density-functio…

cond-mat.mtrl-sci2021★ 11 cited

Tricarbon: two novel ultra-hard metallic carbon allotropes from first-principle calculations

Samir F. Matar, Jean Etourneau, Vladimir L. Solozhenko

Based on crystal chemistry considerations and quantum density functional theory ground state calculations, rhombohedral rh-C3 and hexagonal h-C6 carbon allotropes are proposed and…

cond-mat.mtrl-sci2021★ 33 cited

Polarization-Modulated Angle-Resolved Photoemission Spectroscopy: Towards Circular Dichroism without Circular Photons and Bloch Wavefunction Reconstruction

Michael Schüler, Tommaso Pincelli, Shuo Dong +5

Angle-resolved photoemission spectroscopy (ARPES) is the most powerful technique to investigate the electronic band structure of crystalline solids. To completely characterize the…

cond-mat.mtrl-sci2021★ 12 cited

Penetration depth of Cooper pairs in the IrMn antiferromagnet

R. L. Seeger, G. Forestier, O. Gladii +8

Suppression of superconductivity due to the proximity effect between a superconductor and a ferromagnet can be partially alleviated when a Cooper pair simultaneously samples differ…