Lattice Dynamical Properties Of AlB2 Compound
Yükleniyor...
Tarih
2010
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Gazi Universty
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
The structural and lattice dynamical calculations are predicted on AlB2 compound using the first-principles of total energy calculations. Generalized gradient approximations (GGA) are used to model exchange-correlation effects. Our lattice dynamical results regarding phonon dispersion curves and temperature-dependent behavior of thermodynamical properties (entropy, heat capacity, internal energy, and free energy) contribute to the existing literature on this compound. The calculated lattice parameters and phonon dispersion curves are accord with the available experimental and other theoretical results.
Açıklama
Anahtar Kelimeler
Lattice Dynamical, Properties Of AlB2 Compound
Kaynak
AJP Fizika
WoS Q Değeri
Scopus Q Değeri
Cilt
16
