Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides

Antonius, Gabriel; Qiu, Diana Y.; Louie, Steven G.

doi:10.1021/acs.nanolett.7b05286

Title: Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides

Journal Article · Mon Feb 12 00:00:00 EST 2018 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.7b05286· OSTI ID:1484757

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Univ. of California, Berkeley, CA (United States). Dept. of Physics; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division

We show that the absorption spectra of single-layer GaSe and GaTe in the hexagonal phase feature exciton peaks with distinct polarization selectivity. We investigate these distinct features from first-principles calculations using the GW-BSE formalism. We show that, because of the symmetry of the bands under in-plane mirror symmetry, the bound exciton states selectively couple to either in-plane or out-of-plane polarization of the light. In particular, for a p-polarized light absorption experiment, the absorption peaks of the hydrogenic s-like excitons emerge at large angle of incidence, while the overall absorbance reduces over the rest of the spectrum.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1484757

Journal Information:: Nano Letters, Vol. 18, Issue 3; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 33 works

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