(BN)(1)/(InN)(1), (AlN)(1)/(InN)(1) and (GaN)(1)/(InN)(1) (001) superlattices: An opto-electronic and bonding properties

摘要

We investigate and analyze, in this study, structural, electronic, bonding and optical properties of three superlattices based nitrogen atom. The framework of the calculation follows that of the full-potential LAPW scheme. By using Becke-Johnson exchange potential, we have predicted a band-gap in agreement with the experiment. The bonding properties are also analyzed in line of electronic localization domains. As an interesting finding, we show that both the relaxation of the structures and the weak interactions in the layered structure affect strongly the band gap values. These results are supported by a deep analysis in terms of the bonding network analyzed with non covalent interaction index. In addition, both calculated complex dielectric function and absorption coefficient of our superlattices open a new course to build devices in the optoelectronic field. (C) 2018 Elsevier GmbH. All rights reserved.