Strong elastic anisotropy of low-dimensional ternary compounds: InXTe3 (X = Si, Ge)
Yükleniyor...
Tarih
2021
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Springer
Erişim Hakkı
info:eu-repo/semantics/embargoedAccess
Özet
The stability, anisotropic elastic behavior and electronic properties of trigonal In2Si2Te6, InSiTe3, In2Ge2Te6, and InGeTe3 compounds have been studied by first-principles calculations. The exchange-correlation energy of electrons has been treated using the Perdew-Burke-Ernzerhof parametrization. The calculated formation energies and elastic constants show that all the compounds are both thermodynamically and mechanically stable. Mechanical properties such as the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, B/G ratio, Debye temperature, and sound velocity are discussed in detail. We have analyzed their anisotropic indexes and elastic anisotropies by three-dimensional surface constructions. The present results indicate that the compounds are elastically strongly anisotropic. These materials are found to be semiconductor in nature with indirect band gaps by the analysis of their electronic structures. It can be expected that all the compounds have low thermal conductivity.
Açıklama
Anahtar Kelimeler
In2Si2Te6, InSiTe3, In2Ge2Te6, InGeTe3, Elastic Anisotropy
Kaynak
Journal of Electronic Materials
WoS Q Değeri
Q3
Scopus Q Değeri
Q2
Cilt
50
Sayı
5
