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Type: Artigo
Title: Quasiparticle bands and optical properties of SnSe from an ab initio approach
Author: Meléndez, Juan J.
González-Romero, Robert L.
Antonelli, Alex
Abstract: We present an ab initio study of the nature of the optical and quasiparticle gaps of SnSe. The density functional theory and the many-body perturbation theory under the GW approximation show that SnSe exhibits an indirect quasiparticle bandgap of 0.64 eV, which agrees with the experimental evidence. The optical gap, on the contrary, is direct and ranges between 0.9 and 1.1 eV for thin films. The optical absorption spectrum of SnSe evidences the formation of excitons, whose binding energies depend on the polarization of the incident electric field. Finally, we show evidences that the optical gap of single crystals arises from indirect transitions.
Subject: Estanho
Propriedades óticas
Teoria do funcional de densidade
Problema de muitos corpos
Compostos de estanho
Optical properties
Density functional theory
Many-body problem
Tin compounds
Country: Holanda
Editor: Elsevier
Rights: fechado
Identifier DOI: 10.1016/j.commatsci.2018.05.032
Date Issue: 2018
Appears in Collections:IFGW - Artigos e Outros Documentos

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