Title
Two-dimensional exciton properties in monolayer semiconducting phosphorus allotropes
Date Issued
01 January 2016
Access level
metadata only access
Resource Type
journal article
Author(s)
Publisher(s)
Royal Society of Chemistry
Abstract
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.
Start page
27829
End page
27836
Volume
18
Issue
40
Language
English
OCDE Knowledge area
Química física
Subjects
Scopus EID
2-s2.0-84991799983
Source
Physical Chemistry Chemical Physics
ISSN of the container
14639076
Sponsor(s)
CEPV acknowledges the financial support from the Brazilian agency FAPESP (grant numbers 2012/24227-1 and 2015/14899-0). A. R. R. acknowledges support from ICTP-SAIRF (FAPESP project 2011/11973-4) and the ICTP-Simons Foundation Associate Scheme. This work used the computational resources from GRID-UNESP and CENAPAD/SP.
Sources of information:
Directorio de Producción Científica
Scopus