Nashrieh Shimi va Mohandesi Shimi Iran

Nashrieh Shimi va Mohandesi Shimi Iran

Investigation of Structural, Electronic and Optical Properties of InN

Document Type : Research Article

Authors
Hamdollah Salehi
Nadiya Navaser
Department of Physics, Faculty of Science, University Shahid Chamran University of Ahvaz, Ahvaz, I.R. IRAN
Abstract
In this study, the structural, electronic, and optical properties of InN in three phases of zinc, vortexite, and NaCl have been studied. The calculations have been performed using the pseudopotential method in the framework of Density Functional Theory (DFT) by Quantum espresso package with LDA, GGA, and PBE0 approximations for the exchange and correlation potential terms. The results show that the band gap for InN in the hexagonal phase is a semiconductor with a direct band gap while it is indirect in the NaCl phase. The mostly contributed in the valence band and in the conduction band of the s-orbital nitrogen atom and orbital s and p indium atoms. The result of the compressibility shows that the structural phase of the NaCl is less dense than the two structural phases. Also, the optical properties of the compound including dielectric function, refractive index, electron energy loss Spectroscopy, and the results are consistent with other available data.
Keywords
Density functional theory
InN
Band gap
Refractive index
Electron energy loss Spectroscopy

Subjects

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