Band structure and optical properties of antimony-sulfobromide: density functional calculation

• Authors: Harun Akkus , Amirullah Mamedov , Ali Kazempour , Hadi Akbarzadeh
• Languages of publication: EN

Abstracts

EN

The electronic structure, linear, and non-linear optical properties of ferroelectric-semiconductor SbSBr are investigated in the non-polar (paraelectric) and polar (ferroelectric) phase, using the density functional methods in the generalized gradient approximation. The electronic band structure obtained shows that SbSBr has an indirect forbidden gap of 2.16 and 2.21 eV in the paraelectric and ferroelectric phase, respectively. 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 in both phases and photon-energy dependent second-order susceptibilities in the ferroelectric phase are calculated. Moreover, some important optical parameters, such as the effective number of valence electrons and the effective optical dielectric constant, are calculated in both phases.

Keywords

EN

SbSBr; ferroelectric semiconductor; optical properties; electronic structure

Discipline

• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections
• 71.20.-b: Electron density of states and band structure of crystalline solids
• 71.20.Nr: Semiconductor compounds
• 77.22.Ch: Permittivity (dielectric function)(for low-permittivity dielectric films, see 77.55.Bh; for high-permittivity gate dielectric films, 77.55.D-)
• 77.22.Gm: Dielectric loss and relaxation

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2008
• Volume: 6
• Issue: 1
• Pages: 64-75

Dates

published

1 - 3 - 2008

online

26 - 3 - 2008

Contributors

author

Harun Akkus

• Department of Physics, Yuzuncu Yil University, 65080, Van, Turkey

author

Amirullah Mamedov

• Department of Physics, Cukurova University, 01330, Adana, Turkey

author

Ali Kazempour

• Department of Physics, Isfahan University of Technology, Isfahan, 84156, Iran

author

Hadi Akbarzadeh

• Department of Physics, Isfahan University of Technology, Isfahan, 84156, Iran

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Identifiers

DOI

10.2478/s11534-008-0028-y