Surface band characters of the Weyl semimetal candidate material MoTe2 revealed by one-step angle-resolved photoemission theory

Ryota Ono, Alberto Marmodoro, Jakub Schusser, Yoshitaka Nakata, Eike F. Schwier, Jürgen Braun, Hubert Ebert, Ján Minár, Kazuyuki Sakamoto, and Peter Krüger
Phys. Rev. B 103, 125139 – Published 18 March 2021
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Abstract

The layered two-dimensional material MoTe2 in the Td crystal phase is a semimetal which has theoretically been predicted to possess topologically nontrivial bands corresponding to Weyl fermions. Clear experimental evidence by angle-resolved photoemission spectroscopy (ARPES) is, however, lacking, which calls for a careful examination of the relation between ground state band structure calculations and ARPES intensity plots. Here we report a study of the near-Fermi-energy band structure of MoTe2(Td) by means of ARPES measurements, density functional theory, and one-step-model ARPES calculations. Good agreement between theory and experiment is obtained. We analyze the orbital character of the surface bands and its relation to the ARPES polarization dependence. We find that light polarization has a major effect on which bands can be observed by ARPES. For s-polarized light, the ARPES intensity is dominated by subsurface Mo d orbitals, while p-polarized light reveals the bands mainly derived from Te p orbitals. Suitable light polarization for observing either an electron or hole pocket are determined.

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  • Received 21 October 2020
  • Revised 27 January 2021
  • Accepted 3 March 2021

DOI:https://doi.org/10.1103/PhysRevB.103.125139

©2021 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Ryota Ono1, Alberto Marmodoro2, Jakub Schusser3,4, Yoshitaka Nakata1, Eike F. Schwier4,5, Jürgen Braun6, Hubert Ebert6, Ján Minár3, Kazuyuki Sakamoto1,7,8,9, and Peter Krüger1,7,*

  • 1Graduate School of Science and Engineering, Chiba University, Chiba 263-8522, Japan
  • 2FZU-Institute of Physics of the Czech Academy of Sciences, Cukrovarnicka 10, CZ-162 53 Prague, Czech Republic
  • 3New Technologies–Research Center, University of West Bohemia, Univerzitni 8, 306 14 Plzeň, Czech Republic
  • 4Experimentelle Physik VII, Universität Würzburg, Am Hubland, D-97074 Würzburg, Germany
  • 5Hiroshima Synchrotron Radiation Center, Hiroshima University, Kagamiyama 2-313, Higashi-Hiroshima 739-0046, Japan
  • 6Department of Chemistry, Ludwig Maximilians University München, Butenandtstraße 11, 81377 Munich, Germany
  • 7Molecular Chirality Research Center, Chiba University, Chiba 263-8522, Japan
  • 8Department of Applied Physics, Osaka University, Osaka 565-0871, Japan
  • 9Center for Spintronics Research Network, Graduate School of Engineering Science, Osaka University, Osaka 560-8531, Japan

  • *pkruger@chiba-u.jp

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Issue

Vol. 103, Iss. 12 — 15 March 2021

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