MoTe 2 : A Type-II Weyl Topological Metal

Abstract

Based on the ab initio calculations, we show that MoTe2, in its low-temperature orthorhombic structure characterized by an x-ray diffraction study at 100 K, realizes 4 type-II Weyl points between the Nth and (N±1)th bands, where N is the total number of valence electrons per unit cell. Other WPs and nodal lines between different other bands also appear close to the Fermi level due to a complex topological band structure. We predict a series of strain-driven topological phase transitions in this compound, opening a wide range of possible experimental realizations of different topological semimetal phases. Crucially, with no strain, the number of observable surface Fermi arcs in this material is 2 - the smallest number of arcs consistent with time-reversal symmetry. © 2016 American Physical Society.