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2007 | 5 | 1 | 25-34
Tytuł artykułu

Ab-initio calculation of band structure and linear optical properties of SbSI in para- and ferroelectric phases

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
An ab-initio pseudopotential calculation has been performed by using density functional methods within the local density approximation (LDA) to investigate the band structure and optical properties of the ferroelectric-semiconductor SbSI in the para- and ferroelectric phases. It has been shown that SbSI has an indirect gap in both phases (1.45 eV and 1.49 eV in the para- and ferroelectric phases respectively) and that the smallest direct gap is at the S point of the Brillouin zone (1.56 eV and 1.58 eV in the para- and ferroelectric phases respectively). Furthermore, it is shown that first-order phase transition, from the paraelectric phase to the ferroelectric phase (the transiton temperature is about 22 °C), does not change the nature of the band gap. Moreover, the linear frequency dependent dielectric function, including self-energy effects, has been calculated along the c-polar axis in the para- and ferroelectric phases.
Słowa kluczowe
Wydawca

Czasopismo
Rocznik
Tom
5
Numer
1
Strony
25-34
Opis fizyczny
Daty
wydano
2007-03-01
online
2006-11-11
Twórcy
autor
  • Department of Physics, Cukurova University, 01330, Adana, Turkey, hakkus@cu.edu.tr
  • Department of Physics, Cukurova University, 01330, Adana, Turkey, mamedow@cu.edu.tr
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11534-006-0036-8
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