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physics.app-ph2017
Band structure and giant Stark effect in two-dimensional transition-metal dichalcogenides
M. Javaid, Salvy P. Russo, K. Kalantar-Zadeh +2
We present a comprehensive study of the electronic structures of 192 configurations of 39 stable, layered, transition-metal dichalcogenides using density-functional theory. We show…
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…
physics.app-ph2017
A study of size-dependent properties of MoS2 monolayer nanoflakes using density-functional theory
M. Javaid, Daniel W. Drumm, Salvy P. Russo +1
Novel physical phenomena emerge in ultra-small sized nanomaterials. We study the limiting small-size-dependent properties of MoS monolayer rhombic nanoflakes using density-fu…