Journal ArticleDOI
High-pressure stability and structural properties of CdS and CdSe
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TLDR
In this paper, the structural phase transformations of CdS and CdSe under high pressure are studied by using the local approximation to the density functional theory, and the one-electron equations are solved by means of the full-potential linear muffin-tin-orbital method FP-LMTO.Abstract:
The structural phase transformations of CdS and CdSe under high pressure are studied by using the local approximation to the density functional theory, and the one-electron equations are solved by means of the full-potential linear muffin-tin-orbital method FP-LMTO. CdS and CdSe are found to have nearly similar structural systematics under high pressure. In CdS, the Pmmn phase is predicted after the rocksalt structure, and in CdSe the Cmcm structure is thermodynamically stable after the rocksalt structure. We also find a thermodynamic stability range for the CsCl phase of CdSe. The structural properties of the zincblende, wurtzite, rocksalt, Pmmn, and Cmcm phases are presented. (© 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)read more
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Elastic, electronic, and lattice dynamical properties of CdS, CdSe, and CdTe
TL;DR: In this article, the elastic, electronic and lattice dynamical properties of chalcogenides (CdS, CdSe, and CdTe) were investigated based on norm-conserving pseudopotentials and density functional theory.
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Structural, optical and electrical properties of Ni-doped CdS thin films prepared by spray pyrolysis
TL;DR: In this article, the effect of the [Ni]/[Cd] ratio on the structural, morphological, optical and electrical properties of these films was investigated, which revealed that all the deposited films were polycrystalline with hexagonal structure and exhibited preferential orientation.
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Theoretical study of structural, electronic, and thermal properties of CdS, CdSe and CdTe compounds
TL;DR: A theoretical study of structural, electronic and thermal properties of CdS, CdSe and CdTe compounds is presented in this paper using the full potential linearized augmented plane wave (FP-LAPW) method within density functional theory.
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An ab initio study of the electronic structure and optical properties of CdS1-xTex alloys
Yarub Al-Douri,Ali H. Reshak,Hakim Baaziz,Zoulikha Charifi,Rabah Khenata,Syed Awais Ahmad,Uda Hashim +6 more
TL;DR: The structural, electronic and optical properties of cubic CdS1−xTex alloys, with Te-concentrations varying from 0% up to 100% are investigated in this paper.
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The structural, electronic and optical properties of CdxZn1 − xSe ternary alloys
TL;DR: In this paper, the structural, electronic, and optical properties of Cd x Zn 1−1−−1 x Se alloys were investigated using the first-principles plane-wave pseudopotential method within the LDA approximations.
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