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

Abstract

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.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Univ. of California, Berkeley, CA (United States). Dept. of Physics; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1484757
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Nano Letters
Additional Journal Information:
Journal Volume: 18; Journal Issue: 3; Journal ID: ISSN 1530-6984
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Antonius, Gabriel, Qiu, Diana Y., and Louie, Steven G. Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides. United States: N. p., 2018. Web. doi:10.1021/acs.nanolett.7b05286.
Antonius, Gabriel, Qiu, Diana Y., & Louie, Steven G. Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides. United States. https://doi.org/10.1021/acs.nanolett.7b05286
Antonius, Gabriel, Qiu, Diana Y., and Louie, Steven G. 2018. "Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides". United States. https://doi.org/10.1021/acs.nanolett.7b05286. https://www.osti.gov/servlets/purl/1484757.
@article{osti_1484757,
title = {Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides},
author = {Antonius, Gabriel and Qiu, Diana Y. and Louie, Steven G.},
abstractNote = {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.},
doi = {10.1021/acs.nanolett.7b05286},
url = {https://www.osti.gov/biblio/1484757}, journal = {Nano Letters},
issn = {1530-6984},
number = 3,
volume = 18,
place = {United States},
year = {Mon Feb 12 00:00:00 EST 2018},
month = {Mon Feb 12 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 33 works
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Works referenced in this record:

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Works referencing / citing this record:

Emergence of valley selectivity in monolayer tin( ii ) sulphide
journal, January 2019


Second-harmonic generation in single-layer monochalcogenides: A response from first-principles real-time simulations
journal, July 2019


Saddle-Point Excitons and Their Extraordinary Light Absorption in 2D β-Phase Group-IV Monochalcogenides
journal, October 2018


Photoexcited charge carrier behaviors in solar energy conversion systems from theoretical simulations
journal, August 2019


Two-dimensional O-phase group III monochalcogenides for photocatalytic water splitting
journal, October 2019


Tunable Electronic Properties and Giant Spontaneous Polarization in Graphene/Monolayer GeS van der Waals Heterostructure
journal, June 2019


Control of excitonic absorption by thickness variation in few-layer GaSe
journal, July 2019


Out-of-plane orientation of luminescent excitons in two-dimensional indium selenide
journal, September 2019


Out-of-plane orientation of luminescent excitons in two-dimensional indium selenide
journal, September 2019