prikaz prve stranice dokumenta Estimation of the single-particle band gap and exciton binding energy in two dimensional insulators: a modified G0W0-BSE method approach
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Scientific paper - Original scientific paper
Estimation of the single-particle band gap and exciton binding energy in two dimensional insulators: a modified G0W0-BSE method approach
New Journal of Physics, 22 (2020), 6; 063052. https://doi.org/10.1088/1367-2630/ab91ff
Rukelj, Zoran; Despoja, Vito

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Rukelj, Z. & Despoja, V. (2020). Estimation of the single-particle band gap and exciton binding energy in two dimensional insulators: a modified G0W0-BSE method approach. New Journal of Physics, 22. (6). doi: 10.1088/1367-2630/ab91ff

Rukelj, Zoran and Vito Despoja. "Estimation of the single-particle band gap and exciton binding energy in two dimensional insulators: a modified G0W0-BSE method approach." New Journal of Physics, vol. 22, no. 6, 2020. https://doi.org/10.1088/1367-2630/ab91ff

Rukelj, Zoran and Vito Despoja. "Estimation of the single-particle band gap and exciton binding energy in two dimensional insulators: a modified G0W0-BSE method approach." New Journal of Physics 22, no. 6 (2020). https://doi.org/10.1088/1367-2630/ab91ff

Rukelj, Z. and Despoja, V. (2020) 'Estimation of the single-particle band gap and exciton binding energy in two dimensional insulators: a modified G0W0-BSE method approach', New Journal of Physics, 22(6). doi: 10.1088/1367-2630/ab91ff

Rukelj Z, Despoja V. Estimation of the single-particle band gap and exciton binding energy in two dimensional insulators: a modified G0W0-BSE method approach. New Journal of Physics [Internet]. 2020 June 25 [cited 2024 November 03];22(6). doi: 10.1088/1367-2630/ab91ff

Z. Rukelj and V. Despoja, "Estimation of the single-particle band gap and exciton binding energy in two dimensional insulators: a modified G0W0-BSE method approach", New Journal of Physics, vol. 22, no. 6, June 2020. [Online]. Available at: https://urn.nsk.hr/urn:nbn:hr:217:730181. [Accessed: 03 November 2024]

Metadata
Title (english)Estimation of the single-particle band gap and exciton binding energy in two dimensional insulators: a modified G0W0-BSE method approach
AuthorZoran Rukelj
AuthorVito Despoja
Author's institutionUniversity of Zagreb
Faculty of Science
(Department of Physics)
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Physics
Abstract (english)
In this paper we present an alternative G0W0-BSE procedure, suitable for calculation of the quasi-particle and optical properties in 2D semiconductors. The method completely excludes the spurious Coulomb interaction with 2D crystal replicas. The calculated band gap energies of hexagonal boron nitride (hBN), MoS2 and MoTe2 monolayers are in good agreement with other theoretical results. The 2D Bethe–Salpeter equation is derived and reduced to a 2D-hydrogen Schrödinger equation in which enter the G0W0 band gap, DFT effective masses, and RPA screened Coulomb interaction. This formulation is applied to the problems of determining exciton binding energies and estimating the quasiparticle band gap in hBN, as well as in some transition-metal dichalcogenides. A semiclassical procedure is used in the limit of high polarizability λ in order to obtain the analytical expression for exciton binding energies.
Languageenglish
Publication typeScientific paper - Original scientific paper
Publication statusPublished
Peer reviewPeer review - international
Publication versionPublished version
Journal titleNew Journal of Physics
Numberingvol. 22, no. 6, 063052
e-ISSN1367-2630
DOIhttps://doi.org/10.1088/1367-2630/ab91ff
URN:NBNurn:nbn:hr:217:730181
Publication2020-06-25
Document URLhttps://iopscience.iop.org/article/10.1088/1367-2630/ab91ff
Type of resourceText
Access conditionsOpen access
Terms of useLicence Attribution 4.0 International (CC BY 4.0) icon
Public note© 2020 The Author(s). Published by IOP Publishing Ltd on behalf of the Institute of Physics and Deutsche Physikalische Gesellschaft. Original content from this work may be used under the terms of the Creative Commons Attribution 4.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. Received 12 February 2020. Revised 30 April 2020. Accepted for publication 11 May 2020. Published 24 June 2020.
Created on2020-09-18 14:27:24