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Highly tunable and strongly bound exciton in MoSi2 N4 via strain engineering
Liang, Dan1,2; Xu, Shi3; Lu, Pengfei1; Cai, Yongqing2
2022-05-15
Source PublicationPhysical Review B
ISSN2469-9950
Volume105Issue:19
Abstract

Motivated by the recently synthesized layered material MoSi2N4, we investigate excitonic response of quasiparticle of monolayer MoSi2N4 by using G0W0 and Bethe-Salpeter equation calculations. With a dually sandwiched structure consisting of a central MoN2 layer analog of 2H-MoS2 capped with silicon-nitrogen (SiN) honeycomb outer layers, MoSi2N4 possesses frontier orbitals confined at the central MoN2 layer with similar subvalley at the K point as 2H-MoS2. The valley splitting (∼130meV) due to the spin-orbital coupling gives rise to a doublet in the spectrum. Excitons in MoSi2N4 show a strong binding energy up to 0.95 eV with the optical band gap of 2.44 eV. Both electronic and optical gaps are highly sensitive to tensile strains and become redshifted, albeit a marginal change of exciton binding energy. With the protection of capped SiN layers, quantum confined excitons in MoSi2N4 without the need of additional passivation layer like BN would provide a bright platform for robust emission with partially screened disturbance from environment.

DOI10.1103/PhysRevB.105.195302
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaMaterials Science ; Physics
WOS SubjectMaterials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS IDWOS:000804725400003
Scopus ID2-s2.0-85130390095
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Cited Times [WOS]:1   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding AuthorLu, Pengfei; Cai, Yongqing
Affiliation1.State Key Lab. of Info. Photonics and Optical Communications and School of Electronic Engineering, Beijing University of Posts and Telecommunications, Beijing, 100876, China
2.Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, 999078, Macao
3.Department of Physics and Chemistry, Faculty of Science and Technology, University of Macau, 999078, Macao
First Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Recommended Citation
GB/T 7714
Liang, Dan,Xu, Shi,Lu, Pengfei,et al. Highly tunable and strongly bound exciton in MoSi2 N4 via strain engineering[J]. Physical Review B,2022,105(19).
APA Liang, Dan,Xu, Shi,Lu, Pengfei,&Cai, Yongqing.(2022).Highly tunable and strongly bound exciton in MoSi2 N4 via strain engineering.Physical Review B,105(19).
MLA Liang, Dan,et al."Highly tunable and strongly bound exciton in MoSi2 N4 via strain engineering".Physical Review B 105.19(2022).
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