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2008 | 6 | 1 | 64-75
Tytuł artykułu

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

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
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.
Wydawca

Czasopismo
Rocznik
Tom
6
Numer
1
Strony
64-75
Opis fizyczny
Daty
wydano
2008-03-01
online
2008-03-26
Twórcy
autor
  • Department of Physics, Cukurova University, 01330, Adana, Turkey
  • Department of Physics, Isfahan University of Technology, Isfahan, 84156, Iran
  • Department of Physics, Isfahan University of Technology, Isfahan, 84156, Iran
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11534-008-0028-y
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