Interlayer Excitonic Spectra of Vertically Stacked MoSe2/WSe2 Heterobilayers

Gillen, Roland

doi:10.1002/pssb.202000614

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Interlayer Excitonic Spectra of Vertically Stacked MoSe2/WSe2 Heterobilayers

Roland Gillen

physica status solidi (b), Volume: 258, Issue: 7

Swansea University Author: Roland Gillen

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DOI (Published version): 10.1002/pssb.202000614

Abstract

The optical spectra of vertically stacked MoSe 2 /WSe 2 heterostructures containadditional “interlayer” excitonic peaks that are absent in the individualmonolayer materials and exhibit a signiﬁcant spatial charge separation in out-of-plane direction. A many-body perturbation theory approach is used...

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Published in:	physica status solidi (b)
ISSN:	0370-1972 1521-3951
Published:	Wiley 2021
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URI:	https://cronfa.swan.ac.uk/Record/cronfa66654
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spelling	v2 66654 2024-06-11 Interlayer Excitonic Spectra of Vertically Stacked MoSe2/WSe2 Heterobilayers 8fd99815709ad1e4ae52e27f63257604 0000-0002-7913-0953 Roland Gillen Roland Gillen true false 2024-06-11 ACEM The optical spectra of vertically stacked MoSe 2 /WSe 2 heterostructures containadditional “interlayer” excitonic peaks that are absent in the individualmonolayer materials and exhibit a signiﬁcant spatial charge separation in out-of-plane direction. A many-body perturbation theory approach is used tosimulate the excitonic spectra of MoSe2 /WSe 2 heterobilayers with threestacking orders, considering both momentum-direct and momentum-indirectexcitons. The small oscillator strengths and the optical responses of theinterlayer excitons are signiﬁcantly stacking-dependent and give rise to highradiative lifetimes in the range of 5–200 ns at low temperature for the “bright”interlayer excitons. Solving the ﬁnite-momentum Bethe–Salpeter Equation(BSE), the lowest energy excitation is predicted to be an exciton over thefundamental indirect band gap, with a binding energy of 220 meV. However,in agreement with recent magneto-optics experiments and previous theo-retical studies, the simulations of the effective excitonicg-factors suggest thatthe low energy momentum-indirect excitons are not experimentally observed.The existence of “interlayer”C excitons with signiﬁcant exciton bindingenergies and optical oscillator strengths is further revealed, which are anal-ogous to the prominent band nesting excitons in mono- and few-layertransition-metal dichalcogenides.RESEARCH ARTICLEwww.pss-b.comPhys. Status Solidi B 2021, 258, 2000614 2000614 (1 of 19) © 2021 The Authors. physica status solidi (b) basic solid state physicspublished by Wiley-VCH GmbH Journal Article physica status solidi (b) 258 7 Wiley 0370-1972 1521-3951 Bethe–Salpeter calculations; exciton g-factors; exciton lifetimes; interlayer excitons; transition-metal dichalcogenide heterostructures 10 7 2021 2021-07-10 10.1002/pssb.202000614 COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University Other North-German Supercomputing Alliance. Grant Number: bep00047 Regional Computing Center Erlangen 2024-08-13T16:32:45.1247707 2024-06-11T12:43:28.4106286 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering Roland Gillen 0000-0002-7913-0953 1 66654__31100__092a6c8f3fdf4a9aaacb092d78f9628d.pdf 66654.VoR.pdf 2024-08-13T16:27:43.1430596 Output 3369282 application/pdf Version of Record true © 2021 The Authors. This is an open access article under the terms of the Creative Commons Attribution-NonCommercialNoDerivs License. true eng http://creativecommons.org/licenses/by-nc-nd/4.0/
title	Interlayer Excitonic Spectra of Vertically Stacked MoSe2/WSe2 Heterobilayers
spellingShingle	Interlayer Excitonic Spectra of Vertically Stacked MoSe2/WSe2 Heterobilayers Roland Gillen
title_short	Interlayer Excitonic Spectra of Vertically Stacked MoSe2/WSe2 Heterobilayers
title_full	Interlayer Excitonic Spectra of Vertically Stacked MoSe2/WSe2 Heterobilayers
title_fullStr	Interlayer Excitonic Spectra of Vertically Stacked MoSe2/WSe2 Heterobilayers
title_full_unstemmed	Interlayer Excitonic Spectra of Vertically Stacked MoSe2/WSe2 Heterobilayers
title_sort	Interlayer Excitonic Spectra of Vertically Stacked MoSe2/WSe2 Heterobilayers
author_id_str_mv	8fd99815709ad1e4ae52e27f63257604
author_id_fullname_str_mv	8fd99815709ad1e4ae52e27f63257604_***_Roland Gillen
author	Roland Gillen
author2	Roland Gillen
format	Journal article
container_title	physica status solidi (b)
container_volume	258
container_issue	7
publishDate	2021
institution	Swansea University
issn	0370-1972 1521-3951
doi_str_mv	10.1002/pssb.202000614
publisher	Wiley
college_str	Faculty of Science and Engineering
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hierarchy_top_id	facultyofscienceandengineering
hierarchy_top_title	Faculty of Science and Engineering
hierarchy_parent_id	facultyofscienceandengineering
hierarchy_parent_title	Faculty of Science and Engineering
department_str	School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
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description	The optical spectra of vertically stacked MoSe 2 /WSe 2 heterostructures containadditional “interlayer” excitonic peaks that are absent in the individualmonolayer materials and exhibit a signiﬁcant spatial charge separation in out-of-plane direction. A many-body perturbation theory approach is used tosimulate the excitonic spectra of MoSe2 /WSe 2 heterobilayers with threestacking orders, considering both momentum-direct and momentum-indirectexcitons. The small oscillator strengths and the optical responses of theinterlayer excitons are signiﬁcantly stacking-dependent and give rise to highradiative lifetimes in the range of 5–200 ns at low temperature for the “bright”interlayer excitons. Solving the ﬁnite-momentum Bethe–Salpeter Equation(BSE), the lowest energy excitation is predicted to be an exciton over thefundamental indirect band gap, with a binding energy of 220 meV. However,in agreement with recent magneto-optics experiments and previous theo-retical studies, the simulations of the effective excitonicg-factors suggest thatthe low energy momentum-indirect excitons are not experimentally observed.The existence of “interlayer”C excitons with signiﬁcant exciton bindingenergies and optical oscillator strengths is further revealed, which are anal-ogous to the prominent band nesting excitons in mono- and few-layertransition-metal dichalcogenides.RESEARCH ARTICLEwww.pss-b.comPhys. Status Solidi B 2021, 258, 2000614 2000614 (1 of 19) © 2021 The Authors. physica status solidi (b) basic solid state physicspublished by Wiley-VCH GmbH
published_date	2021-07-10T16:32:46Z
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score	11.037603

Interlayer Excitonic Spectra of Vertically Stacked MoSe2/WSe2 Heterobilayers

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