Optical Properties of the Narrow-Band Ferroelectrics: First Principle Calculations

[ X ]

Tarih

2015

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

Taylor & Francis Ltd

Erişim Hakkı

info:eu-repo/semantics/closedAccess

Özet

Based on density functional theory, we have studied the electronic, and optical properties of narrow-band ferroelectric compounds - (Ge,Sn) Te. Generalized gradient approximation has been used for modeling exchange-correlation effects. The lattice parameters of the considered compounds have been calculated. The calculated electronic band structure shows that GeTe and SnTe compounds have a direct forbidden band gap of 0.742 ev and 0.359 eV. The real and imaginary parts of dielectric functions and therefore, the optical functions such as energy-loss function, as well as the effective number of valance electrons and the effective optical dielectric constant are all calculated. Our structural estimation and some other results are in agreement with the available experimental and theoretical data.

Açıklama

Anahtar Kelimeler

ab initio calculation, electronic structure, optical properties

Kaynak

Ferroelectrics

WoS Q Değeri

Q4

Scopus Q Değeri

Q4

Cilt

483

Sayı

1

Künye