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Published in 2020 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2020.109540
Abstract: Abstract By adopting the first-principles methods based on the density functional theory, we studied the electronic and magnetic properties of group-V MX2 (M = V, Nb, Ta; X = S, Se, Te) monolayers with atomic-sized structural defects. We firstly…
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Keywords:
properties group;
group tmds;
magnetic properties;
electronic magnetic ... See more keywords