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

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      Author(s)
      Koc H.
      Mamedov, Amirullah M.
      Özbay, Ekmel
      Date
      2013
      Source Title
      2013 Joint IEEE International Symposium on Applications of Ferroelectric and Workshop on Piezoresponse Force Microscopy (ISAF/PFM)
      Publisher
      IEEE
      Pages
      41 - 44
      Language
      English
      Type
      Conference Paper
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      Abstract
      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.
      Keywords
      ab initio calculation
      electronic structure
      mechanical properties
      Antimony compounds
      Elastic moduli
      Electronic properties
      Electronic structure
      Ferroelectricity
      Local density approximation
      Mechanical properties
      Scanning probe microscopy
      Ab initio calculations
      Anisotropy factor
      Electronic band structure
      First-principles study
      Poisson's ratio
      Structural estimation
      Topological insulators
      Young's Modulus
      Bismuth compounds
      Permalink
      http://hdl.handle.net/11693/28065
      Published Version (Please cite this version)
      http://dx.doi.org/10.1109/ISAF.2013.6748739
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      • Nanotechnology Research Center (NANOTAM) 1063
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