Lattice dynamical properties of TcB2 compound
Yükleniyor...
Tarih
2012
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The structural, lattice dynamical, and some thermodynamical properties of TcB 2 in hexagonal AlB 2-type structure (Hex-I) (space group P6/mmm), hexagonal ReB 2-type structure (Hex-II) (space group P63/mmc) are investigated using first-principles calculations. The phonon dispersion curves are derived from the direct method. The present results show that this compound is dynamically stable for considered structures. The temperature-dependent behavior of thermodynamical properties such as internal energy, free energy, entropy, and heat capacity are also presented and trends are discussed.
Açıklama
Deligöz, Engin (Aksaray, Yazar) Özışık, Havva (Aksaray, Yazar)
Anahtar Kelimeler
Phonon Properties, TcB 2, Thermodynamical Properties
Kaynak
Solid State Sciences
WoS Q Değeri
N/A
Scopus Q Değeri
Q1
Cilt
14
Sayı
7
