Ground state electronic configuration of half-Heusler Li-Al-Si compounds: phonon instability and elastic properties
Yükleniyor...
Dosyalar
Tarih
2010
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Gazi Unversity
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
In this study we present the results of our calculations on the different atomic arrangement of LiAlSi compounds by performing ab initio total energy calculations within the generalized gradient approximation (GGA) in VASP package. Specifically, the structural, electronic, elastic and phonon dispersion are calculated and compared with the available experimental and other theoretical data.
Açıklama
Anahtar Kelimeler
Ground State Electronic, configuration of half-Heusler Li-Al-Si
Kaynak
AJP Fizika
WoS Q Değeri
Scopus Q Değeri
Cilt
16
Sayı
2
