| Texto completo | |
| Autor(es): |
Villegas, Cesar E. P.
;
Rodin, A. S.
;
Carvalho, Alexandra
;
Rocha, A. R.
Número total de Autores: 4
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Physical Chemistry Chemical Physics; v. 18, n. 40, p. 27829-27836, OCT 28 2016. |
| Citações Web of Science: | 13 |
| Resumo | |
Excitons play a key role in technological applications since they have a strong influence on determining the efficiency of photovoltaic devices. Recently, it has been shown that the allotropes of phosphorus possess an optical band gap that can be tuned over a wide range of values including the near-infrared and visible spectra, which would make them promising candidates for optoelectronic applications. In this work we carry out ab initio many-body perturbation theory calculations to study the excitonic effects on the optical properties of two-dimensional phosphorus allotropes: the case of blue and black monolayers. We elucidate the most relevant optical transitions, exciton binding energy spectrum as well as real-space exciton distribution, particularly focusing on the absorption spectrum dependence on the incident light polarization. In addition, based on our results, we use a set of effective hydrogenic models, in which the electron-hole Coulomb interaction is included to estimate exciton binding energies and radii. Our results show an excellent agreement between the many-body methodology and the effective models. (AU) | |
| Processo FAPESP: | 12/24227-1 - Estudo das propriedades óticas e de transferência de carga em células fotovoltaicas orgânicas: simulações ab-initio |
| Beneficiário: | César Enrique Pérez Villegas |
| Linha de fomento: | Bolsas no Brasil - Pós-Doutorado |
| Processo FAPESP: | 15/14899-0 - Efeitos de temperatura nas propriedades ópticas de semicondutores: simulações ab-initio |
| Beneficiário: | César Enrique Pérez Villegas |
| Linha de fomento: | Bolsas no Exterior - Estágio de Pesquisa - Pós-Doutorado |
| Processo FAPESP: | 11/11973-4 - ICTP Instituto Sul-Americano para Pesquisa Fundamental: um centro regional para física teórica |
| Beneficiário: | Nathan Jacob Berkovits |
| Linha de fomento: | Auxílio à Pesquisa - Temático |