Structural, elastic, and electronic properties of topological insulators: Sb2Te3 and Bi2Te3

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Tarih

2013

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

IEEE

Erişim Hakkı

info:eu-repo/semantics/closedAccess

Özet

We have performed a first principles study of structural, elastic, and electronic properties of rhombohedral Sb2Te3 and Bi2Te3 compounds using the density functional theory within the local density approximation. The lattice parameters of considered compounds have been calculated. The second-order elastic constants have been calculated, and the other related quantities such as the Young's modulus, shear modulus, Poisson's ratio, anisotropy factor, sound velocities, and Debye temperature have also been estimated in the present work. The calculated electronic band structure shows that Sb2Te3 and Bi2Te3 compounds have a direct forbidden band gap. Our structural estimation and some other results are in agreement with the available experimental and theoretical data.

Açıklama

IEEE International Symposium on the Applications of Ferroelectric / Workshop on the Piezoresponse Force Microscopy (ISAF/PFM) -- JUL 21-25, 2013 -- Prague, CZECH REPUBLIC

Anahtar Kelimeler

ab initio calculation, mechanical properties, electronic structure

Kaynak

2013 Ieee International Symposium on The Applications of Ferroelectric and Workshop on The Piezoresponse Force Microscopy (Isaf/Pfm)

WoS Q Değeri

N/A

Scopus Q Değeri

N/A

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Künye