Publication: Polaronic signatures in pristine phosphorene
Дата
2021
Авторы
Perebeinos, V.
Neverov, V. D.
Lukyanov, A. E.
Zhumagulov, Y. V.
Krasavin, A. V.
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Аннотация
©2021 American Physical Society.We investigate polaronic effects in a monolayer black phosphorus (or phosphorene) due to the charge carrier-intrinsic phonons interaction. We employ a microscopic model to describe vibrational spectra and electron-phonon interactions within the tight-binding approach. Our adiabatic solution for polarons suggests the critical coupling constant of λc=3.0 for polaron self-trapping in this anisotropic material. We report nonadiabatic calculations for the band-gap renormalization and the effective mass enhancement as a function of temperature and a range of electron-phonon coupling strengths. Our results demonstrate a surprising large band-gap renormalization, even for the lower bound of the electron-phonon coupling strength reported in the literature. We find that optical phonons give the dominant contributions to the polaronic effect.
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Цитирование
Polaronic signatures in pristine phosphorene / Perebeinos, V. [et al.] // Physical Review Materials. - 2021. - 5. - № 5. - 10.1103/PhysRevMaterials.5.054008
URI
https://www.doi.org/10.1103/PhysRevMaterials.5.054008
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http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000655936400002
https://openrepository.mephi.ru/handle/123456789/24222