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Open Physics
|
2008
|
vol. 6
|
issue 4
808-811
EN
We calculate the electronic properties of austenite and martensite Fe-9%Mn alloys using the self consistent full-potential linearized-plane-wave method under the generalized gradient approximation full lattice relaxation. By minimizing total-energy, the lattice constants in their ground states were determined. We discuss the total energy dependence of the volume, and density of states (DOS).
EN
In order to investigate the influence of the number of layers on the properties of ZrO₂ thin films, we prepared one pure ZrO₂ film sample with five layers and Ce, Eu, and Dy-doped ZrO₂ samples with single layer, by spin-coating sol gel-method. The crystal structures of thin films were determined using X-ray diffraction, morphology of the samples was analyzed by scanning electron microscopy, and the optical properties of the samples were determined by ultraviolet/visible absorbance measurements. The results of these measurements have shown that the concentration of the dopants and the thickness of thin film layers play a vital role in the physical, chemical, and optical properties of the pure and doped ZrO₂ thin films.
Open Physics
|
2009
|
vol. 7
|
issue 1
102-107
EN
We have predicted the phase transition pressure (PT)and high pressure behavior of Zirconium and Niobium carbide (ZrC, NbC). The high pressure structural phase transitions in ZrC and NbC has been studied by using a two body inter-ionic potential model, which includes the Coulomb screening effect, due to the semi-metallic nature of these compounds. These transition metal carbides have been found to undergo NaCl (B1) to CsCl (B2)-type structural phase transition, at high pressure like other binary systems. We predict such structural transformation in ZrC and NbC at a pressure of 98GPa and 85GPa respectively. We have also predicted second order elastic constant and bulk modulus. The present theoretical work has been compared with the corresponding experimental data and prediction of LAPW and GGA and LDA theories.
EN
In this study, using spin-coating sol-gel method we fabricated TiO₂ thin films, doped with different concentrations (1, 2, and 3 mole %) of Ce, Dy, and Eu. Characterization of the prepared samples was performed by means of the X-ray diffraction, scanning electron microscopy, ultraviolet visible absorption, and differential thermal and thermo gravimetric analysis. X-ray diffraction measurements have shown that in Eu and Dy-doped samples crystal structure consists of mixed rutile and the dominant anatase phases, however the Ce doped samples consist of anatase phase only. Scanning electron microscopy images have revealed that while average thin film thickness of the Dy-doped samples decreases with increasing concentration of Dy, the average film thicknesses of samples doped with Ce and Eu increases with increasing concentrations of these dopants. Ultraviolet visible absorption spectroscopy measurements have shown that while absorbances of the samples doped by 1 and 2 mole % of the dopants have nearly similar properties, these properties differ from each other for 3 mole % of the dopants. Finally, differential thermal and thermo gravimetric analyses have shown that the chemical reactions and weight losses of the samples have occurred at the expected temperatures.
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