The first principles study on PtC compound
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Tarih
2008
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
We have studied structural, thermodynamic, elastic, and electronic properties of platinum carbide (PtC) in zinc-blende and rock-salt structures by performing ab initio calculations within the LDA approximations. Particularly, we have focused on the structural and the pressure dependence of elastic moduli and related quantities. The other basic key properties, such as the lattice constant, cohesive energy, the phase transition pressure, bulk modulus and its pressure derivative are also repeated and compared with the other available experimental and theoretical works. (c) 2008 Elsevier B.V. All rights reserved.
Açıklama
Anahtar Kelimeler
PtC, Band Structure, Elastic Properties, Thermodynamical Properties
Kaynak
Materials Chemistty and Physics
WoS Q Değeri
N/A
Scopus Q Değeri
Q1
Cilt
111
Sayı
1
