Stability and Anisotropic Elastic Properties of a Hexagonal ?-WN Compound
Yükleniyor...
Tarih
2022
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Springer
Erişim Hakkı
info:eu-repo/semantics/embargoedAccess
Özet
In this work, we have examined the structural, phonon and anisotropic elastic properties of a hexagonal ?-WN compound via density functional theory. The obtained structural parameters and mechanical properties are in agreement with the other experimental and theoretical results. The present phonon dispersion curve and elastic constants indicate that the ?-WN compound is both mechanically and dynamically stable. The predicted elastic modulus shows that this compound possesses a high bulk modulus, shear modulus and Young’s modulus. The tabulated B/G and Poisson’s ratio have predicted that ?-WN has ductile behavior. According to the calculated minimum thermal conductivity, the hexagonal ?-WN compound can be used as thermal insulating material. Moreover, elastic anisotropy behavior has been analyzed with the different anisotropic indexes. The anisotropic elastic properties have been reported and discussed for the first time.
Açıklama
Anahtar Kelimeler
Anisotropy, Mechanical Properties, Phonon Properties, WN
Kaynak
Journal of Electronic Materials
WoS Q Değeri
Q3
Scopus Q Değeri
Q2
Cilt
-
Sayı
-
