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Dispersion of the linear and nonlinear optical susceptibilities of disilver germanium sulfide from DFT calculations
(Springer Science+Business Media New York., 2013-03)
The dispersion of the linear and nonlinear optical susceptibilities is calculated for disilver germanium sulfide (Ag2GeS3) using the all-electron full potential linearized augmented plane wave (FP-LAPW) method. Calculations ...
Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys
(Elsevier Inc., 2012-02)
The structural and electronic properties of cubic GaAs 1-xBi x alloys with bismuth concentration 0.0, 0.25, 0.50, 0.75 and 1.0 are studied using the 'special quasi-random structures' (SQS) approach of Zunger along with the ...
Electronic structure and magneto-optic Kerr effect in ferromagnetic titanium oxyphosphates Li 0.50Co 0.25TiO(PO4): An ab-initio study
(Elsevier Ltd., 2012-06)
The X-ray diffraction for Li 0.50Co 0.25TiO(PO 4), was used as a starting point to perform structural optimization by minimizing the forces acting on the atoms. We have performed a comprehensive theoretical study of ...
Amino acid 2-aminopropanoic CH 3CH(NH 2)COOH crystals: Materials for photo- and acoustoinduced optoelectronic applications
(Springer Science+Business Media, LLC, 2012-10)
Photo-induced treatment of L-alanine single crystals grown by slow evaporation method at an ambient temperature was performed using a 25 ps Nd:YAG pulsed laser in the presence of an external acoustic filed. The changes of ...
Compaction optimization of Sn-Cu-Si3N4via powder metallurgy route for composite solder fabrication
(Trans Tech Publications, 2013)
The aim of this study was to optimize the compaction process of a composite solder fabricated via powder metallurgy route, before details study were conducted in the next stage. Powder of Sn, Cu and Si3N4 were carefully ...
Application of clay - based geopolymer in brick production: A review
(Trans Tech Publications, 2013)
This paper reviews and summarizes the current knowledge and application of clay as a geopolymer material in production of geopolymer brick. As we understand, the nature of source materials give a significant impact to the ...
General properties of kaolin geopolymers
(American Scientific Publishers, 2013-01)
This paper reported the properties of kaolin geopolymers in term of the bulk density, compressive strength, qualitative observation and SEM analysis of the kaolin geopolymers. Kaolin geopolymers were synthesized through ...
Electronic structure, chemical bonding features, and electron charge density of the double-cubane single crystal [Sb7S8 Br 2] (AlCl4)3
(American Institute of Physics, 2011-05-16)
The present calculations were performed using all-electron full potential linearized augmented plane wave method based on the density functional theory. We have optimized the structure of the double-cubane single crystal ...
Nano geopolymer for sustainable concrete using fly ash synthesized by high energy ball milling
(Trans Tech Publications, 2013)
This paper presents the development of a nano geopolymer for sustainable concrete using fly ash synthesized by high-energy ball milling. In this paper, we report on our investigation of the effects of grinding on the binder ...
Absorption and photoconductivity spectra of Ag 2GeS 3 crystal: Experiment and theory
(Elsevier B.V., 2012-07)
Spectral features of polycrystalline Ag 2GeS 3 samples synthesized from high-purity elements (at least 99.99 wt.% purity) in quartz ampoules evacuated to 0.1 Pa were explored. The band energy gap of Ag 2GeS 3 crystals ...