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Ab Initio Theory of Photoemission from Graphene

Angle-resolved photoemission from monolayer and bilayer graphene is studied based on an ab initio one-step theory. The outgoing photoelectron is represented by the time-reversed low energy electron diffraction (LEED) state [Formula: see text] , which is calculated using a scattering theory formulate...

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Autor principal: Krasovskii, Eugene
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8147655/
https://www.ncbi.nlm.nih.gov/pubmed/34063600
http://dx.doi.org/10.3390/nano11051212
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author Krasovskii, Eugene
author_facet Krasovskii, Eugene
author_sort Krasovskii, Eugene
collection PubMed
description Angle-resolved photoemission from monolayer and bilayer graphene is studied based on an ab initio one-step theory. The outgoing photoelectron is represented by the time-reversed low energy electron diffraction (LEED) state [Formula: see text] , which is calculated using a scattering theory formulated in terms of augmented plane waves. A strong enhancement of the emission intensity is found to occur around the scattering resonances. The effect of the photoelectron scattering by the underlying substrate on the polarization dependence of the photocurrent is discussed. The constant initial state spectra [Formula: see text] are compared to electron transmission spectra [Formula: see text] of graphene, and the spatial structure of the outgoing waves is analyzed. It turns out that the emission intensity variations do not correlate with the structure of the [Formula: see text] spectra and are caused by rather subtle interference effects. Earlier experimental observations of the photon energy and polarization dependence of the emission intensity [Formula: see text] are well reproduced within the dipole approximation, and the Kohn–Sham eigenstates are found to provide a quite reasonable description of the photoemission final states.
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spelling pubmed-81476552021-05-26 Ab Initio Theory of Photoemission from Graphene Krasovskii, Eugene Nanomaterials (Basel) Article Angle-resolved photoemission from monolayer and bilayer graphene is studied based on an ab initio one-step theory. The outgoing photoelectron is represented by the time-reversed low energy electron diffraction (LEED) state [Formula: see text] , which is calculated using a scattering theory formulated in terms of augmented plane waves. A strong enhancement of the emission intensity is found to occur around the scattering resonances. The effect of the photoelectron scattering by the underlying substrate on the polarization dependence of the photocurrent is discussed. The constant initial state spectra [Formula: see text] are compared to electron transmission spectra [Formula: see text] of graphene, and the spatial structure of the outgoing waves is analyzed. It turns out that the emission intensity variations do not correlate with the structure of the [Formula: see text] spectra and are caused by rather subtle interference effects. Earlier experimental observations of the photon energy and polarization dependence of the emission intensity [Formula: see text] are well reproduced within the dipole approximation, and the Kohn–Sham eigenstates are found to provide a quite reasonable description of the photoemission final states. MDPI 2021-05-03 /pmc/articles/PMC8147655/ /pubmed/34063600 http://dx.doi.org/10.3390/nano11051212 Text en © 2021 by the author. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Krasovskii, Eugene
Ab Initio Theory of Photoemission from Graphene
title Ab Initio Theory of Photoemission from Graphene
title_full Ab Initio Theory of Photoemission from Graphene
title_fullStr Ab Initio Theory of Photoemission from Graphene
title_full_unstemmed Ab Initio Theory of Photoemission from Graphene
title_short Ab Initio Theory of Photoemission from Graphene
title_sort ab initio theory of photoemission from graphene
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8147655/
https://www.ncbi.nlm.nih.gov/pubmed/34063600
http://dx.doi.org/10.3390/nano11051212
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