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Title: Theoretical study of InN/GaN short period superlattices to mimic disordered alloys

Abstract

We carried out ab initio calculations of the (InN){sub n}∕(GaN){sub m} short period superlattices using the LDA-1/2 method in order to obtain approximate quasiparticle electronic structures. We performed calculations for several short period superlattices respecting the concentrations of 33%, 50%, 66%, and 80% of InN, considering different straining possibilities due to lattice mismatches. For the majority of configurations, we find relevant changes on the valence and conduction profiles around bandgap with position plane-by-plane along the superlattices growth direction, with the presence of intrinsic electric fields in the materials, in the case, when strain is applied. Our results show that for small numbers n and m of layers, the band edge states extend over the entire superlattice. For larger n and/or m, the edge states tend to localise on particular subtype layers (InN or GaN). For the former cases, the bandgaps are very close to the random alloys with the same concentrations, providing potential good materials for optoelectronic devices based on nitrides.

Authors:
 [1]
  1. Instituto Tecnológico de Aeronáutica, São Paulo state (Brazil)
Publication Date:
OSTI Identifier:
22304174
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 115; Journal Issue: 22; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALLOYS; CONFIGURATION; CRYSTAL DEFECTS; CRYSTAL GROWTH; ELECTRIC FIELDS; ELECTRONIC STRUCTURE; GALLIUM NITRIDES; INDIUM NITRIDES; LAYERS; RANDOMNESS; STRAINS; SUPERLATTICES

Citation Formats

Ribeiro, M., E-mail: maurofsrj@gmail.com, and Marques, M. Theoretical study of InN/GaN short period superlattices to mimic disordered alloys. United States: N. p., 2014. Web. doi:10.1063/1.4882879.
Ribeiro, M., E-mail: maurofsrj@gmail.com, & Marques, M. Theoretical study of InN/GaN short period superlattices to mimic disordered alloys. United States. https://doi.org/10.1063/1.4882879
Ribeiro, M., E-mail: maurofsrj@gmail.com, and Marques, M. 2014. "Theoretical study of InN/GaN short period superlattices to mimic disordered alloys". United States. https://doi.org/10.1063/1.4882879.
@article{osti_22304174,
title = {Theoretical study of InN/GaN short period superlattices to mimic disordered alloys},
author = {Ribeiro, M., E-mail: maurofsrj@gmail.com and Marques, M.},
abstractNote = {We carried out ab initio calculations of the (InN){sub n}∕(GaN){sub m} short period superlattices using the LDA-1/2 method in order to obtain approximate quasiparticle electronic structures. We performed calculations for several short period superlattices respecting the concentrations of 33%, 50%, 66%, and 80% of InN, considering different straining possibilities due to lattice mismatches. For the majority of configurations, we find relevant changes on the valence and conduction profiles around bandgap with position plane-by-plane along the superlattices growth direction, with the presence of intrinsic electric fields in the materials, in the case, when strain is applied. Our results show that for small numbers n and m of layers, the band edge states extend over the entire superlattice. For larger n and/or m, the edge states tend to localise on particular subtype layers (InN or GaN). For the former cases, the bandgaps are very close to the random alloys with the same concentrations, providing potential good materials for optoelectronic devices based on nitrides.},
doi = {10.1063/1.4882879},
url = {https://www.osti.gov/biblio/22304174}, journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 22,
volume = 115,
place = {United States},
year = {Sat Jun 14 00:00:00 EDT 2014},
month = {Sat Jun 14 00:00:00 EDT 2014}
}