First principles calculations on the MAl (M=Cr, Mo) compounds: Elastic and dynamical properties
Yükleniyor...
Dosyalar
Tarih
2010
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Gazi University
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
The first-principles calculations based on the density-functional theory have been performed using the generalized–gradient approximation (GGA) to investigate the many physical properties of CrAl and MoAl compounds. The calculated structural parameters, elastic properties and phonon dispersion curves are presented and compared with the available other theoretical data.
Açıklama
Anahtar Kelimeler
MAl (M=Cr, Mo)
Kaynak
AJP Fizika
WoS Q Değeri
Scopus Q Değeri
Cilt
16
Sayı
2
