MoTe2: A Type-II Weyl Topological Metal

Zhijun Wang, Dominik Gresch, Alexey A. Soluyanov, Weiwei Xie, S. Kushwaha, Xi Dai, Matthias Troyer, Robert J. Cava, B. Andrei Bernevig

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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.

Original languageEnglish (US)
Article number056805
JournalPhysical review letters
Volume117
Issue number5
DOIs
StatePublished - Jul 27 2016

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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    Wang, Z., Gresch, D., Soluyanov, A. A., Xie, W., Kushwaha, S., Dai, X., Troyer, M., Cava, R. J., & Bernevig, B. A. (2016). MoTe2: A Type-II Weyl Topological Metal. Physical review letters, 117(5), [056805]. https://doi.org/10.1103/PhysRevLett.117.056805