A first principles study of cubic IrO2 polymorph
Yükleniyor...
Tarih
2007
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Springer Nature
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
We have studied structural, thermodynamic, elastic, and electronic properties of cubic IrO 2 polymorph via ab initio calculations within the LDA and GGA approximations. Basic physical properties, such as lattice constant, bulk modulus, second-order elastic constants (C ij), and the electronic band structures are calculated, and compared with available experimental values. We have, also, predicted the Young's modulus, Poison's ratio (?), Anisotropy factor (A), sound velocities, and Debye temperature.
Açıklama
Anahtar Kelimeler
71.22.+i Electronic Structure of Liquid Metals and Semiconductors and Their Alloys, 62.20.Dc Elasticity, Elastic Constants
Kaynak
European Physical Journal B
WoS Q Değeri
N/A
Scopus Q Değeri
Q3
Cilt
60
Sayı
4
