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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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| ISSN: | 0370-1972 1521-3951 |
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Wiley
2021
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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 |
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Wiley |
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Faculty of Science and Engineering |
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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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1807286970749026304 |
| score |
11.021648 |