2 papers
cond-mat.mtrl-sci2021
Localized Wannier function based tight-binding models for two-dimensional allotropes of bismuth
Qile Li, Jackson S. Smith, Yuefeng Yin +4
With its monoelemental composition, various crystalline forms and an inherently strong spin-orbit coupling, bismuth has been regarded as an ideal prototype material to expand our u…
cond-mat.str-el2017
An Ab Initio Description of the Mott Metal-Insulator Transition of M Vanadium Dioxide
Jamie M. Booth, Daniel W. Drumm, Phil S. Casey +3
Using an \textit{ab initio} approach based on the GW approximation which includes strong local \textbf{k}-space correlations, the Metal-Insulator Transition of M vanadium dioxi…