Browsing by Subject "Bismuth compounds"

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    Optical properties and electronic band structure of topological insulators on A2 5B36 compound based
    (IEEE, 2012) Koc H.; Mamedov, Amirullah M.; Özbay, Ekmel
    We have performed a first principles study of structural, electronic, and optical properties of rhombohedral Sb 2Te 3 and Bi 2Te 3 compounds using the density functional theory within the local density approximation. The lattice parameters, bulk modulus, and its pressure derivatives of these compounds have been obtained. The linear photon-energy dependent dielectric functions and some optical properties such as the energy-loss function, the effective number of valance electrons and the effective optical dielectric constant are calculated and presented in the study © 2012 IEEE.
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    Structural, elastic, and electronic properties of topological insulators: Sb2Te3 and Bi2Te3
    (IEEE, 2013) Koc H.; Mamedov, Amirullah M.; Özbay, Ekmel
    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.