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Influence of varying Germanium content on the optical function dispersion of Fe 2MnSi xGe 1-x: An ab initio study
(Elsevier B.V., 2013-01)
The optical dielectric functions of Fe 2MnSi 1-xGe x alloys for selected concentrations (x=0.0, 0.25, 0.5, 0.75 and 1.0) were investigated. The ferromagnetic Fe 2MnSi xGe 1-x is semiconducting with optical band gaps 0.507, ...
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 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 ...
Electronic structure, Fermi surface and optical properties of metallic compound Be₈(B₄₈)B₂
(Elsevier/NORTH-HOLLAND, 2014-02)
The band structure, density of states, electronic charge density, Fermi surface and optical properties for B₈(Be₄₈)B₂ compound has been investigated in the support of density functional theory (DFT). The atomic positions ...
Density of states, optical and thermoelectric properties of perovskite vanadium fluorides Na₃VF₆
(Elsevier/NORTH-HOLLAND, 2014)
The electronic structure, charge density and Fermi surface of Na₃VF₆ compound have been examined with the support of density functional theory (DFT). Using the full potential linear augmented plane wave method, we employed ...
Thermoelectric properties, effective mass, chemical bonding, and optical properties of 1,3,6-trimetylo-alloxazine: C₁₃H₁₂N₄O₂
(ESG, 2014)
The thermoelectric properties, electronic band structure, density of states, chemical bonding, optical properties, electrons and holes effective mass of 1,3,6-trimetylo-alloxazine are calculated by using the full potential ...
Morphology and optical investigations of ZnO pyramids and nanoflakes for optoelectronic applications
(Elsevier, 2014-06)
Zinc-oxide (ZnO) pyramidal and nanoflakes were grown by electrochemical deposition of Zn(NO3)2·6H2O on n-type Si substrate with different crystallographic orientations and on indium tin oxide (ITO)-coated glass. Various ...
XPS and optical studies of different morphologies of ZnO nanostructures prepared by microwave methods
(Elsevier, 2013-04)
Zinc oxide (ZnO) nanostructures of various morphologies were prepared using a microwave-assisted aqueous solution method. Herein, a comparative study between three different morphologies of ZnO nanostructures, namely ...
Optical properties of ultraphosphate glasses containing mixed divalent zinc and magnesium ions
(Elsevier B.V., 2013-01)
Ternary zinc magnesium ultraphosphate glasses corresponding to (ZnO)x
(MgO)30 x
(P2O5)70 were
prepared by melt quenching technique in the range of 5 6 x 6 20 mol%. The optical absorption spectra
of the glasses were ...
Structural and optical investigations of cadmium sulfide nanostructures for optoelectronic applications
(Elsevier Ltd., 2012-11)
Cadmium sulfide (CdS) nanostructures were deposited on glass substrates by sol–gel spin coating technique. X-Ray Diffraction
(XRD) results have indicated that the formation of CdS has hexagonal structure. The lattice constants ...