Systematic study on the anisotropic elastic properties of tetragonal XYSb (X = Ti, Zr, Hf; Y = Si, Ge) compounds
Yükleniyor...
Tarih
2015
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier Science Bv
Erişim Hakkı
info:eu-repo/semantics/embargoedAccess
Özet
The anisotropic elastic properties of XYSb (X = Ti, Zr, Hf; Y = Si, Ge) compounds have been investigated by using first-principles calculations based on density functional theory. The calculated lattice parameters are in excellent agreement with the available experimental data. The computed elastic constants indicate that all compounds are mechanically stable according to the elastic stability criteria under pressure. We have calculated the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, Debye temperature, and anisotropy value from the obtained elastic constants according to the Voigt-Reuss-Hill approximation. Additionally, the ductility and brittleness are characterized with the estimation from Pugh's rule (B/G) and Poisson's ratio. Furthermore, the elastic anisotropy have been visualized in detail by plotting the directional dependence of compressibility, Young's and shear moduli. (C) 2015 Elsevier Masson SAS. All rights reserved.
Açıklama
Anahtar Kelimeler
Anisotropic Elastic Properties, Ab Initio Calculations
Kaynak
Solid State Sciences
WoS Q Değeri
N/A
Scopus Q Değeri
Q1
Cilt
40
