Surface band characters of Weyl semimetal candidate material MoTe.sub.2./sub. revealed by one-step angle-resolved photoemission theory

0541766 - FZÚ 2022 RIV US eng J - Journal Article
Ono, R. - Marmodoro, Alberto - Schusser, J. - Nakata, Y. - Schwier, E.F. - Braun, J. - Ebert, H. - Minár, J. - Sakamoto, K. - Krüger, P.
Surface band characters of Weyl semimetal candidate material MoTe₂ revealed by one-step angle-resolved photoemission theory.
Physical Review B. Roč. 103, č. 12 (2021), č. článku 125139. ISSN 2469-9950. E-ISSN 2469-9969
Institutional support: RVO:68378271
Keywords : ARPES * MoTe₂ * Weyl * DFT * KKR * one-step photoemission
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.908, year: 2021
Method of publishing: Limited access
https://doi.org/10.1103/PhysRevB.103.125139

The layered MoTe2 in the Td phase is a semimetal, predicted to possess topologically non-trivial bands corresponding to Weyl fermions. Clear ARPES evidence is still lacking, which calls for a careful examination of the relation between ground state band structure calculations and ARPES intensity plots. We study the near Fermi-energy band structure of MoTe2(Td) by means of ARPES measurements, DFT, and one-step-model ARPES calculations. Agreement between theory and experiment is obtained. We analyse 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 composed mainly from Te p orbitals. Suitable light polarization for observing either electron or hole pocket are determined.
Permanent Link: http://hdl.handle.net/11104/0319295