Ab initio vibrational and dielectric properties of the chalcopyrite CuInSe2
Küçük Resim Yok
Tarih
2002
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
American Physical Society
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
We have performed a first-principles study of structural, dynamical, and dielectric properties of the chalcopyrite semiconductor CuInSe2. The calculations have been carried out within the local density functional approximation using norm-conserving pseudopotentials and a plane-wave basis. Born effective charge tensors, dielectric permitivity tensors, the phonon frequencies at the Brillouin zone center, and mode oscillator strengths are calculated using density functional perturbation theory. The calculated properties agree with some of the infrared, Raman, and neutron measurements.
Açıklama
Anahtar Kelimeler
copper derivative, indium, metal complex, selenium derivative, ab initio calculation, article, density functional theory, dielectric constant, mathematical analysis, oscillation, semiconductor, theory, vibration
Kaynak
Physical Review B - Condensed Matter and Materials Physics
WoS Q Değeri
Scopus Q Değeri
N/A
Cilt
66
Sayı
16
