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This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX2 (where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...
EPFL2019
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We investigate, using a first-principles density functional methodology, the nature of magnetism in monolayer 1T phase of tantalum disulfide (1T-TaS2). Magnetism in the insulating phase of TaS2 is a longstanding puzzle and has led to a variety of theoretic ...
Two-dimensional (2D) transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as 1T and 1H, depending on the coordination sphere of the transition metal atom. The broken octahedral and trigonal prismatic symmetries lead to different cry ...