TY - JOUR
T1 - MoTe2
T2 - A Type-II Weyl Topological Metal
AU - Wang, Zhijun
AU - Gresch, Dominik
AU - Soluyanov, Alexey A.
AU - Xie, Weiwei
AU - Kushwaha, S.
AU - Dai, Xi
AU - Troyer, Matthias
AU - Cava, Robert J.
AU - Bernevig, B. Andrei
N1 - Funding Information:
We thank Binghai Yan for helpful discussions. This work was supported by NSF CAREER DMR-095242, ONR-N00014-14-1-0330, ARO MURI W911NF-12-1-0461, NSF-MRSEC DMR-0819860, Packard Foundation and Keck grant. D.G., A.A.S., and M.T. were supported by Microsoft Research, the European Research Council through ERC Advanced Grant SIMCOFE, the Swiss National Science Foundation through the National Competence Centers in Research MARVEL and QSIT. Z.W. and X.D. were supported by the National Natural Science Foundation of China (No.11504117), the 973 program of China (No.2013CB921700), and the trategic Priority Research Program (B) of the Chinese Academy of Sciences (No. XDB07020100).
Publisher Copyright:
© 2016 American Physical Society.
PY - 2016/7/27
Y1 - 2016/7/27
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevLett.117.056805
DO - 10.1103/PhysRevLett.117.056805
M3 - Article
C2 - 27517788
AN - SCOPUS:84979992155
VL - 117
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 5
M1 - 056805
ER -