Neverov, Vyacheslav D. and Lukyanov, Alexander E. and Zhumagulov, Yaroslav and Krasavin, Andrey and Perebeinos, Vasili (2021) Polaronic signatures in pristine phosphorene. PHYSICAL REVIEW MATERIALS, 5 (5): 054008. ISSN 2475-9953,
Full text not available from this repository. (Request a copy)Abstract
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 lambda(c) = 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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | BLACK PHOSPHORUS; TIGHT-BINDING; CRYSTALS; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Jaroslav Fabian |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 13 Sep 2022 13:47 |
| Last Modified: | 13 Sep 2022 13:47 |
| URI: | https://pred.uni-regensburg.de/id/eprint/47337 |
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