Electronic band structure of 4d and 5d transition metal trichalcogenides

摘要

Transition metal trichalcogenides (TMTs), a family of van der Waalsmaterials, have gained increasing interests from the discovery of magnetism infew-layer forms. Although TMTs with 3d transition metal elements have beenstudied extensively, much less is explored for the 4d and 5d cases, where theinteresting interplay between electron correlations and the relativisticspin-orbit coupling is expected. Using ab initio calculations, we hereinvestigate the electronic property of TMTs with 4d and 5d transition metalelements. We show that the band structures exhibit multiple node-like featuresnear the Fermi level. These are the remnant of multiple Dirac cones that wererecently discovered in the monolayer cases. Our results indicate that thepeculiar two-dimensional multiple Dirac cones are concealed even in the layeredbulk systems.