Structural, elastic, and electronic properties of topological insulators: Sb2Te3 and Bi2Te3
2013 Joint IEEE International Symposium on Applications of Ferroelectric and Workshop on Piezoresponse Force Microscopy, ISAF/PFM 2013
IEEE Computer Society
Please cite this item using this persistent URLhttp://hdl.handle.net/11693/28065
We have performed a first principles study of structural, elastic, and electronic properties of rhombohedral Sb2Te3 and Bi 2Te3 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 Bi2Te 3 compounds have a direct forbidden band gap. Our structural estimation and some other results are in agreement with the available experimental and theoretical data. © 2013 IEEE.
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