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Electronic and Magnetic Properties of Ca-Doped Mn-Ferrite

100%
Ustundağ M., Aslan M.
Acta Physica Polonica A
|
2016
|
vol. 130
|
issue 1
362-364
EN
Spinel ferrite structures have vast applications, from microwave to radio frequencies. In order to acquire new electronic and optical behavior, divalent cations can be added to normal spinel ferrite structure. This way it is possible to facilitate its usage in material and science technology. In this work we have analyzed the impact of Ca addition to normal spinel manganese ferrite on electronic and magnetic properties by the first-principles calculations. For the exchange-correlation functional, Wu-Cohen, generalized gradient approximation method was used for electron-electron interactions. The calculation of electronic band structures is based on full potential linear augmented plane wave method. The calculated density of states shows that the addition of Ca ions has a significant impacts on the electronic and magnetic structure.
2
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The Optoelectronic Properties of Sb Doped BBi Compounds

81%
Ustundag M., Yalcin B., Aslan M., Bagcı S.
Acta Physica Polonica A
|
2016
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vol. 130
|
issue 1
98-100
EN
We have determined structural, electronic and optical properties of BBi_{1-x}Sb_x alloy by using density functional theory based on the full potential linearized augmented plane wave method. For the exchange correlation potential, the generalized gradient approximation of Perdew, Burke, and Ernzerhof has been performed. The structural properties, including lattice constants and bulk modulus have been calculated by changing x concentration. We have investigated the effect of composition on lattice constant, bulk modulus and band gap. Properly, direct/indirect band character of BBi_{1-x}Sb_x has been investigated depending on the x concentration. Then we have determined some basic linear optical properties BBi_{1-x}Sb_x alloy in direct band gap region. The obtained results have been compared with available studies. All the calculations have been performed after geometry optimization. As far as we know, no experimental or theoretical data are presently available for the studied ternary alloy BBi_{1-x}Sb_x (0 < x < 1).
3
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Optical Properties of BN and BBi Compounds

81%
Yalcin B., Ustundag M., Aslan M.
Acta Physica Polonica A
|
2014
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vol. 125
|
issue 2
574-576
EN
We have investigated optical properties which are very important for optoelectronic devices, such as laser modulators, photo detectors, optical amplifier and high efficient solar cells of BN and BBi using the density functional theory based on full potential linearized augmented plane wave method as implemented in Vienna ab-initio simulation package (VASP). The exchange correlation potential is treated by generalized gradient approximation. Primarily, we have calculated the equilibrium lattice constant (a_0) of BN and BBi. Our results for a_0 are 3.6264 Å and 5.5243 Å for BN and BBi, respectively. These results fairly coincide with theoretical and experimental studies. Then, we have calculated the optical parameters (dielectric functions, absorption and refractive index, reflectivity, energy loss function and conductivity) of BN and BBi which is directly related to the energy band structure of the material.
4
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Band Gap Calculations of Ternary InN_{0.03125}P_{0.96875} Alloy

81%
Ustundag M., Yalcin B., Bagci S., Aslan M.
Acta Physica Polonica A
|
2015
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vol. 128
|
issue 2B
B-135-B-137
EN
In the current study, structural and electronic properties of ternary dilute nitride InN_{x}P_{1-x} alloys have been investigated by using density functional theory. The equilibrium lattice parameter of studied material has been calculated in zinc-blende phase. 2× 2× 2 supercell with 64 atoms has been used for calculations. The lattice parameter of InN_{0.03125}P_{0.96875} alloy is found to be 5.852 Å. By means of the equilibrium lattice parameter, electronic band structure has been calculated for dilute 3.125% nitride composition. It is found that a ternary InN_{0.03125}P_{0.96875} alloy is a direct band gap semiconductor with energy band gap of 1.198 eV.
5
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Sintering Behaviour of ZnO:Cu Ceramics Fabricated by Sol-Gel Derived Powders

71%
Bahşi Z., Oral A., Aslan M., Kayahan E., Ozer M.
Acta Physica Polonica A
|
2012
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vol. 121
|
issue 1
271-273
EN
Doped zinc(II) oxide (ZnO:Cu) ceramics were prepared from sol-gel derived nanocrystalline powders. Powders were prepared by dissolving zinc and copper acetates in isopropyl alcohol. Ethanolamine was used to enhance the solubility of acetates. Powders were produced by the calcination of the dried gels at 750°C. The crystal size of the undoped powders were uniform and around 50 nm while grain size of Cu doped powders varied between 0.3 and 2 μm. X-ray mapping of the powders showed that Cu was not homogeneously distributed and some particles had higher Cu content. After pressing of the powders, both doped and undoped ceramics were sintered at 1200C for 2 h. Microstructure of the Cu doped ceramics showed that Cu atoms partially dissolved in ZnO matrix and the rest formed a second phase in the grain boundaries. Average grain size of the ZnO:Cu ceramics was around 30 μm. Relative densities of the ceramics increased from 0.695 to 0.857 by Cu doping.
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