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Band structure and optical properties of SbSeI: density‐functional calculation
Author(s) -
Akkus Harun,
Kazempour Ali,
Akbarzadeh Hadi,
Mamedov Amirullah M.
Publication year - 2007
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200642615
Subject(s) - refractive index , optical conductivity , band gap , dielectric , semiconductor , electronic band structure , condensed matter physics , photon energy , density of states , absorption (acoustics) , chemistry , valence (chemistry) , extinction (optical mineralogy) , materials science , photon , optics , optoelectronics , physics , mineralogy , organic chemistry
The electronic structure and linear optical properties of the ferroelectric semiconductor SbSeI are calculated in the nonpolar phase using the density functional methods in the generalized gradient approximation. The obtained electronic band structure shows that SbSeI 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. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)