The mechanical and anisotropy properties of ?-RuCl3 compound
Yükleniyor...
Tarih
2018
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
(WITAM-2018)
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
The recent study showed that the low-temperature crystal structure is described by space group C2/m with lattice parameters a=5.981 Å, b=10.354 Å, c=6.014 Å, and ?=108.800. Also, the recent theoretical paper described spin ordered states where FM is ground. In this study, we have studied the structural, mechanical, and directional dependency of mechanical properties of the ?-RuCl3 in monoclinic C2/m structure. The elastic constants of these compounds are calculated, then bulk modulus, shear modulus, Young’s modulus, Possion’s ratio, Debye temperature, and anisotropy value of polycrystalline aggregates have been derived and relevant mechanical properties are discussed. Furthermore, the directional dependence of the polycrystalline elastic modulus and Poisson's ratio are analyzed from calculated single-crystal elastic constants.
Açıklama
Anahtar Kelimeler
RuCl3, Structural Properties, First Principles
Kaynak
The International Congress on The World of Technology and Advanced Materials (WITAM-2018)
