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Dispersion of the second harmonic generation from CdGa₂X₄ (X = S, Se) defect chalcopyrite: DFT calculations
(Elsevier, 2014)
All electron full potential linear augmented plane wave method was used for calculating the nonlinear optical susceptibilities of CdGa₂X4₄(X = S, Se) within the framework of density functional theory. The exchange correlation ...
Electronic structure, electronic charge density and optical properties of 3-methyl-1,4-dioxo-1, 4-dohydronaphthalen-2-yl-sulfanyl (C₁₃H₁₀O₄S)
(ESG, 2014)
The atomic positions of 3-methyl-1,4-dioxo-1, 4-dohydronaphthalen-2-yl-sulfanyl (3MDS) single crystal taken from XRD data were optimized by minimizing the forces. We make use of the optimized geometry as a starting point ...
Cu-SiCp composites as advanced electronic packaging materials
(Trans Tech Publications, 2014)
The demand for advanced thermal management materials such as silicon carbide particles reinforced copper matrix (Cu-SiCp) composites is increasing due to the stringent design requirement in the electronic packaging industries. ...
Electronic structure, optical and thermoelectric transport properties of layered polyanionic hydrosulfate LiFeSO₄OH: Electrode for Li-ion batteries
(Elsevier, 2014)
Theoretical analysis of electronic structure and optical properties of LiFeSO₄OH, using the full-potential linearized augmented plane waves (FPLAPW), on the basis of density-functional theory (DFT), with in the local density ...
Structural, electronic and optical properties in earth-abundant photovoltaic absorber of Cu₂ZnSnS₄ and Cu₂ZnSnSe₄ from DFT calculations
(ESG, 2014)
DFT analyses of band structure dispersion and of contribution of different anionic sub-groups to the studied electronic structure together with the anisotropy of optical
functions were performed for the two promising solar ...
Kenaf bast-unsaturated polyester composite: The effect of different alkaline treatment condition on tensile properties
(Trans Tech Publications, 2014)
The biocomposites were prepared by using kenaf bast fiber mat as reinforcing materials at different percentage. The kenaf bast fiber was treated with alkaline at different sodium hydroxide (NaOH) percentage. Composites ...
Structural, electronic, and optical properties of orthorhombic and triclinic BiNbO4 determined via DFT calculations
(Springer Science+Business Media New York., 2014-11)
We performed ab initio calculations using the FPLAW method with the local density approximation (LDA) implemented in the WIEN2 k code for the orthorhombic (α) and triclinic (β) phases of BiNbO4. The modified Becke-Johnson ...
Third harmonic generation process in Al doped ZnO thin films
(Elsevier, 2014-01)
We have performed studies on the third-order nonlinear optical susceptibility of Al doped ZnO (AZO) thin films using z-scan and third harmonic generation techniques. From the present studies, it reveals that the introduction ...
Thermal expansion behavior of the electroless copper coated Cu-SiCp composites fabricated via the conventional powder metallurgical technique
(Trans Tech Publications, 2014-01)
The introduction of the metal matrix composites as the advanced electronic packaging materials is highly anticipated because their thermal properties can be engineered to match those of semiconductors, ceramics substrates ...
Production of silicon carbide via grinding and heat treatment process
(Trans Tech Publications, 2014)
This study is to determine the properties and characterization of silicon carbide via grinding and heat treatment process. In this study, the raw materials used were waste glass and graphite powder. Silicon carbide was ...