2 papers
cond-mat.mtrl-sci2023
Two-Dimensional Noble Metal Chalcogenides in the Frustrated Snub-Square Lattice
Hai-Chen Wang, Ahmad W. Huran, Miguel A. L. Marques +4
We study two-dimensional noble metal chalcogenides, with composition {Cu, Ag, Au}2{S, Se, Te}, crystallizing in a snub-square lattice. This is a semi-regular two-dimensional tessel…
cond-mat.mtrl-sci2019
Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directions
Fabien Tran, Jan Doumont, Leila Kalantari +3
Kohn-Sham (KS) density functional theory (DFT) is a very efficient method for calculating various properties of solids as, for instance, the total energy, the electron density, or…