Journal ArticleDOI
A theoretical approach to the optical properties of trigonal and chain Se1−xTex
Toshio Yamaguchi,Fumiko Yonezawa +1 more
TLDR
In this paper, a theory to study the electronic density of states (DOS) of trigonal and chain Se1−xTex was presented, and the energy bands of pure Se and Te were calculated by making use of the information of the optical gaps.Abstract:
We present a theory to study the electronic density of states (DOS) of trigonal and chain Se1−xTex. By making use of the information of the optical gaps, we calculate the energy bands of pure Se and Te both in the trigonal and chain form by the tight-binding method. Using this result, we calculate the DOS of trigonal and chain Se1−xTex in the coherent potential approximation for three and one dimension respectively. We also evaluate the optical gap as functions of the Te concentration x, which we compare with experimental data. In view of all these results, we ascertain that some physical properties of a Se1−xTex mixture is different according as the system is a three-dimensional crystal or a one-dimensional chain.read more
Citations
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Journal ArticleDOI
Vector Charge Density Wave Model of Metallic and Trigonal Te
Yukihiro Shimoi,Hideo Fukutome +1 more
TL;DR: In this article, high pressure metallic (m-) Te and pressure dependence of trigonal (t-) Te are studied by the vector charge density wave (VCDW) model, namely by coupled CDWs on vector p orbitals.
Journal ArticleDOI
Spatial Correlations and Defects in Isolated Selenium-Sulfur Mixed Chains
TL;DR: In this article, photo-induced absorption bands appear in the mixed chains at low temperatures, which are accompanied by ESR signal, which contains a strongly anisotropic component with average g-value higher than 2.
Journal ArticleDOI
Ab initio atomic and electronic structure calculations of selenium systems in different dimensions
Toshio Yamaguchi,Fumiko Yonezawa +1 more
TL;DR: The role played by non-bonding electrons in the formation of the condensed phase of selenium is clarified in this paper, where stable configurations and electronic structures are calculated for zero-dimensional (0D) dimers and trimers.
Journal ArticleDOI
Electronic structure of random copolymers
TL;DR: In this article, the electronic structure of random copolymers (RCP) is theoretically investigated by the single-site coherent potential approximation, and the results are also compared with those by the band calculation for the corresponding ordered system.
Journal ArticleDOI
Theoretical study of the structural, electronic and optical properties of the t-Se1-xTex system for x = 0.03, 0.04 and 0.08 and for these systems containing a defect in the dihedral angle
M. Mekahlia,M. L. Benkhedir +1 more
TL;DR: In this paper , the structural, electronic and optical properties of t-Se 1-x Te x and T-Se 2-X Te x containing a defect in the dihedral angle (ϕ) for low concentrations (x = 0.03, 0.04 and 0.08) were explored.
References
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Journal ArticleDOI
A Reformulation of the Coherent Potential Approximation and Its Applications
TL;DR: In this paper, the authors give a formalism to calculate from the first principle the electronic structure of substitutionally disordered alloys in the coherent potential approximation (CPA), based on the t-matrix of the muffin-tin potential and extend the KKR method of the energy band calculation to concentrated alloys.
Journal ArticleDOI
Photoacoustic study of crystalline Se1−xTex semiconducting alloys
TL;DR: In this paper, the photoacoustic technique has been applied for the first time to study the energy gap variation of mixed semiconducting Se1−xTex alloys as a function of x.
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