Yazar "Deligoz, E." seçeneğine göre listele

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    First principles prediction of the elastic, electronic, and optical properties of Sb2S3 and Sb2Se3 compounds
    (Elsevier, 2012) Koc, H.; Mamedov, Amirullah M.; Deligoz, E.; Ozisik, H.
    We have performed a first principles study of structural, mechanical, electronic, and optical properties of orthorhombic Sb2S3 and Sb2Se3 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. (C) 2012 Elsevier Masson SAS. All rights reserved.
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    First-principles study of the structural, elastic, electronic, optical, and vibrational properties of intermetallic Pd 2Ga
    (2012) Yildirim, A.; Koc, H.; Deligoz, E.
    The structural, elastic, electronic, optical, and vibrational properties of the orthorhombic Pd 2Ga compound are investigated using the norm-conserving pseudopotentials within the local density approximation in the frame of density functional theory. The calculated lattice parameters have been compared with the experimental values and found to be in good agreement with these results. The second-order elastic constants and the other relevant quantities, such as the Young's modulus, shear modulus, Poisson's ratio, anisotropy factor, sound velocity, and Debye temperature, have been calculated. It is shown that this compound is mechanically stable after analysing the calculated elastic constants. Furthermore, the real and imaginary parts of the dielectric function and the optical constants, such as the optical dielectric constant and the effective number of electrons per unit cell, are calculated and presented. The phonon dispersion curves are derived using the direct method. The present results demonstrate that this compound is dynamically stable. © 2012 Chinese Physical Society and IOP Publishing Ltd.
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    Öğe
    The elastic, electronic, and optical properties of PtSi and PtGe compounds
    (Taylor & Francis Ltd, 2011) Koc, H.; Deligoz, E.; Mamedov, Amirullah M.
    The structural, mechanical, electronic and optical properties of orthorhombic PtSi and PtGe were investigated using norm-conserving pseudopotentials within the local density approximation in the frame of density functional theory. The calculated lattice parameters and bulk modulus for PtSi and PtGe have been compared with the experimental and theoretical values. The second-order elastic constants were 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. 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 were calculated. Our structural estimation and some other results are in agreement with the available experimental and theoretical data.