Band structure and optical properties of SbSeI: density-functional calculation


Akkus H., Kazempour A., Akbarzadeh H., Mamedov A. M.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, vol.244, no.10, pp.3673-3683, 2007 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 244 Issue: 10
  • Publication Date: 2007
  • Doi Number: 10.1002/pssb.200642615
  • Title of Journal : PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
  • Page Numbers: pp.3673-3683

Abstract

The electronic structure and linear optical properties of the ferroelectric semiconductor SbSel are calculated in the nonpolar phase using the density functional methods in the generalized gradient approximation. The obtained electronic band structure shows that SbSel has an indirect forbidden gap of 1.65 eV. The linear photon-energy-dependent dielectric functions and some optical functions such as absorption and extinction coefficients, refractive index, energy-loss function, reflectivity and optical conductivity are calculated. Moreover, some important optical parameters such as the effective number of valence electrons and the effective optical dielectric constant are calculated.