Browsing by Subject "Dielectric functions"

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    Band Structure and Optical Properties of Kesterite Type Compounds: First principle calculations
    (Institute of Physics Publishing, 2017) Palaz S.; Unver H.; Ugur G.; Mamedov, Amirullah; Özbay, Ekmel
    In present work, our research is mainly focused on the electronic structures, optical and magnetic properties of Cu2FeSnZ4 (Z = S, Se) compounds by using ab initio calculations within the generalized gradient approximation (GGA). The calculations are performed by using the Vienna ab-initio simulation package (VASP) based on the density functional theory. The band structure of the Cu2FeSnZ4 ( Z = S, Se) compounds for majority spin (spin-up) and minority spin (spin-down) were calculated. It is seen that for these compounds, the majority spin states cross the Fermi level and thus have the metallic character, while the minority spin states open the band gaps around the Fermi level and thus have the narrow-band semiconducting nature. For better understanding of the electronic states, the total and partial density of states were calculated, too. The real and imaginary parts of dielectric functions and hence the optical functions such as energy-loss function, the effective number of valance electrons and the effective optical dielectric constant for Cu2FeSnZ4 (Z = S, Se) compounds were also calculated. © Published under licence by IOP Publishing Ltd.
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    First principles prediction of the elastic, electronic, and optical properties of Sb 2S 3 and Sb 2Se 3 compounds
    (2012) Koc H.; Mamedov, A.M.; Deligoz, E.; Ozisik H.
    We have performed a first principles study of structural, mechanical, electronic, and optical properties of orthorhombic Sb 2S 3 and Sb 2Se 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 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, Debye temperature, and hardness have also been estimated in the present work. The linear photon-energy dependent dielectric functions and some optical properties such as the energy-loss function, the effective number of valence electrons and the effective optical dielectric constant are calculated. Our structural estimation and some other results are in agreement with the available experimental and theoretical data. © 2012 Elsevier Masson SAS. All rights reserved.
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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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    Optical properties of the narrow-band ferroelectrics: first principle calculations
    (Taylor & Francis Inc., 2015) Koc, H.; Simsek S.; Mamedov, A. M.; Özbay, Ekmel
    Based on density functional theory, we have studied the electronic, and optical properties of narrow-band ferroelectric compounds - (Ge,Sn) Te. Generalized gradient approximation has been used for modeling exchange-correlation effects. The lattice parameters of the considered compounds have been calculated. The calculated electronic band structure shows that GeTe and SnTe compounds have a direct forbidden band gap of 0.742 and 0.359. The real and imaginary parts of dielectric functions and therefore, the optical functions such as energy-loss function, as well as the effective number of valance electrons and the effective optical dielectric constant are all calculated. Our structural estimation and some other results are in agreement with the available experimental and theoretical data. © 2015 Taylor & Francis Group, LLC.
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    Spectroscopic ellipsometric study of Ge nanocrystals embedded in SiO 2 using parametric models
    (Wiley, 2008-05) Basa, P.; Petrik, P.; Fried, M.; Dâna, Aykutlu; Aydınlı, Atilla; Foss, S.; Finstad, T. G.
    Ge-rich SiO2 layers on top of Si substrates were deposited using plasma enhanced chemical vapour deposition. Ge nanocrystals embedded in the SiO2 layers were formed by high temperature annealing. The samples were measured and evaluated by spectroscopic ellipsometry. Effective medium theory (EMT) and parametric semiconductor models have been used to model the dielectric function of the layers. Systematic dependences of the layer thickness and the oscillator parameters have been found on the annealing temperature (nanocrystal size).