Electronic and optical properties of graphene-like InAs: An ab initio study
Department of Physics, Science and Research Branch, Islamic Azad University, Tehran, Iran
2 Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran
* e-mail: Arash_bch@yahoo.com
Accepted: 31 January 2018
Published online: 23 March 2018
The present work initially investigates structural, optical, and electronic properties of graphene-like InAs by using the full potential linear augmented plane wave method in the framework of density functional theory and is then compared with the bulk Indium Arsenide in the wurtzite phase. The lattice parameters are optimized with GGA-PBE and LDA approximations for both 2D- and 3D-InAs. In order to study the electronic properties of graphene-like InAs and bulk InAs in the wurtzite phase, the band gap is calculated by GGA-PBG and GGA-EV approximations. Moreover, optical parameters of graphene-like InAs and bulk InAs such as the real and imaginary parts of dielectric function, electron energy loss function, refractivity, extinction and absorption coefficients, and optical conductivity are investigated. Plasmonic frequencies of 2D- and 3D-InAs are also calculated by using maximum electron energy loss function and the roots of the real part of the dielectric function.
© Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature, 2018