First principles study of WTe<sub>2</sub> with Wannier model

ORAL

Abstract

Two-dimensional transition metal dichalcogenides are a class of atomically thin materials which can host a wide range of physical properties such as strong spin-orbit coupling and nontrivial topological phases. Both monolayer and bulk tungsten ditelluride (WTe2) has been studied in great detail over the past years for their electronic properties. Here we present the results of our first principles study of the behaviour of finite thickness WTe2. To connect between the bulk and the monolayer material, we employ Wannier functions to build tight binding models for different numbers of WTe2 layers. This study provides insight into the effect of van der Waals interactions and spin-orbit coupling on the symmetry, crystal and band structures, and topology of WTe2.

*This work was supported primarily by the National Science Foundation through the University of Minnesota MRSEC under Award Number DMR-1420013 and the iSuperseed program.

–

Presenters

  • Amartyajyoti Saha

    • Department of Chemical Engineering and Materials Science, University of Minnesota
    • School of Physics and Astronomy, University of Minnesota

Authors

  • Amartyajyoti Saha

    • Department of Chemical Engineering and Materials Science, University of Minnesota
    • School of Physics and Astronomy, University of Minnesota

  • Turan Birol

    • Department of Chemical Engineering and Material science, University of Minnesota
    • Chemical Engineering and Materials Science, University of Minnesota - Twin Cities
    • University of Minnesota
    • Department of Chemical Engineering and Materials Science, University of Minnesota
    • Department of Chemical Engineering and Materials Science, UNIVERSITY OF MINNESOTA