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43. The electronic and optical properties of Zn1-xCaxSe mixed alloys

Author

Sürücü, G., Çolakoğlu, K., Deligöz, Engin, Korozlu, N., Çiftçi, Y. O., Sabire Yazıcı Fen Edebiyat Fakültesi, Colakoglu, Kemal -- 0000-0003-4108-2404, SURUCU, Gokhan -- 0000-0002-3910-8575, and korozlu, nurettin -- 0000-0002-0899-0227 more...

Subjects
Condensed Matter::Materials Science, Semiconductors, Electronic Band Structure, Physics::Optics, Optical Properties, Mixed Alloys
Abstract

WOS: 000279899900035, We have investigated the structural, electronic, and optical properties of Zn1-xCaxSe ternary alloys using first principles calculations within the plane-wave pseudopotential method. Some basic physical properties, such as lattice constant, bulk modulus, electronic band structures, and optical properties (dielectric functions, refractive index, and energy loss function) were calculated. In addition, the effects of composition x on bulk modulus, band gap, refractive index and dielectric function were calculated. Our results agree well with the available data in the literature. (C) 2010 Elsevier Ltd. All rights reserved., Turkish Prime Ministry State Planning Agency [2001K120590], This work was supported by the Turkish Prime Ministry State Planning Agency under Projects No. 2001K120590. more...

Published
2010

45. The effects of concentration on the electronic and optical properties in CdxZn1-xS ternary alloys

Author

Korozlu, N., Çolakoğlu, K., Deligöz, Engin, Sabire Yazıcı Fen Edebiyat Fakültesi, Colakoglu, Kemal -- 0000-0003-4108-2404, and korozlu, nurettin -- 0000-0002-0899-0227

Subjects
Electronic Structure, Compound Semiconductors, Ab Initio Calculations, Optical Properties
Abstract

WOS: 000278344100029, The structural, electronic and optical properties of CdxZn1-xS alloys have been studied using the first-principles plane-wave pseudopotential (PP) method within the local-density approximations (LDAs). The effects of composition on lattice constants, bulk modulus, band gap, dielectric functions, refractive index, extinction coefficient and energy loss function are investigated. It has been found that the lattice constants and bulk modulus change as almost linear for these alloys. Calculated electronic structure and density of states (DOS) of CdxZn1-xS alloys are discussed in terms of the contribution of Zn d, Cd d and p and S s and p states. Our results agree well with the available data in the literature. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim, Turkish Prime Ministry State Planning Agency [2001K120590], This work was supported by the Turkish Prime Ministry State Planning Agency under Projects No. 2001K120590. more...

Published
2010

50. Second Order Elastic Constants and some thermoelastic properties of alkali halides using Woodcock potential

Author

Yazar H.R., Ağan S., Çolakoğlu K., and Kırıkkale Üniversitesi

Subjects
NaCl-type crystal, Second order elastic constant, Anderson-Grüneisen
Abstract

Second Order Elastic Constants (S.O.E.C) of NaCl-type crystals have been calculated using the Woodcock potential. Short-range repulsive interactions have been included up to second-nearest neighbors. This potential form represents the composite form of the inverse power dependence and exponential dependence of the repulsive energy on interionic distance. Some thermoelastic and thermodynamic properties such as Anderson-Grüneisen parameters ?T, and ?S, Volume thermal expansion coefficient ? and Grüneisen gama ?G have been calculated in terms of calculated values of S.O.E.C and Third Order Elastic Constant (T.O.E.C). more...

Published
2001