The elastic, electronic, and vibrational properties of pure CdF2: A first-principles study
Yükleniyor...
Tarih
2007
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier
Erişim Hakkı
info:eu-repo/semantics/embargoedAccess
Özet
Ab initio calculations, based on density functional theory and norm-conserving pseudopotentials, have been performed to investigate the some structural, elastic, electronic, and lattice-dynamical properties of pure CdF2. The calculated lattice parameter, phonon dispersion, and band structure are in accordance with the available experimental and other theoretical results. The pressure-dependent behaviours of elastic constants and band-structural properties of CdF2 are also reported.
Açıklama
Anahtar Kelimeler
First-principles Calculation, Elastic Properties, Lattice Dynamics, Band Tructure
Kaynak
Journal of Alloys and Compounds2007
WoS Q Değeri
Scopus Q Değeri
N/A
Cilt
438
Sayı
1-2
