Optical Response of MoTe2 and WTe2 Weyl Semimetals: Distinguishing between Bulk and Surface Contributions

Popescu, Adrian; Pertsova, Anna; Balatsky, Alexander V.; Woods, Lilia M.

doi:10.1002/adts.201900247

Title: Optical Response of MoTe₂ and WTe₂ Weyl Semimetals: Distinguishing between Bulk and Surface Contributions

Journal Article · Wed Jan 29 00:00:00 UTC 2020 · Advanced Theory and Simulations

DOI: https://doi.org/10.1002/adts.201900247 · OSTI ID:1800361

Popescu, Adrian ^[1]; Pertsova, Anna ^[2]; Balatsky, Alexander V. ^[2];

^[3]

Univ. of South Florida, Tampa, FL (United States). Dept. of Physics; OSTI
KTH Royal Inst. of Technology and Stockholm Univ., Stockholm (Sweden). Nordita. Center for Quantum Materials
Univ. of South Florida, Tampa, FL (United States). Dept. of Physics

A first-principles investigation of the optical response of the Weyl Semimetals MoTe₂ and WTe₂ is presented. The approach, based on combining two formulations, allows to both separate the intraband and interband parts of the optical conductivity and to distinguish between the bulk and surface contributions to the optical response. It is found that the response is truly anisotropic, with peaks that can be associated with interband transitions involving either bulk or surface states. The role of the relaxation time, and the relation of the calculated results with available experimental measurements, are also discussed. Furthermore, the approach reported is transferable to any system, topologically trivial or non-trivial, thus addressing the long-standing need for comprehensive characterization of the optical response.

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Research Organization:: Univ. of South Florida, Tampa, FL (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-06ER46297

OSTI ID:: 1800361

Journal Information:: Advanced Theory and Simulations, Journal Name: Advanced Theory and Simulations Journal Issue: 3 Vol. 3; ISSN 2513-0390

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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