Electronic and magnetic properties of Ti(2)O(3), Cr(2)O(3), and Fe(2)O(3) calculated by the screened exchange hybrid density functional.

The electronic and magnetic properties of the transition metal sesqui-oxides Cr(2)O(3), Ti(2)O(3), and Fe(2)O(3) have been calculated using the screened exchange (sX) hybrid density functional. This functional is found to give a band structure, bandgap, and magnetic moment in better agreement with experiment than the local density approximation (LDA) or the LDA+U methods. Ti(2)O(3) is found to be a spin-paired insulator with a bandgap of 0.22 eV in the Ti d orbitals. Cr(2)O(3) in its anti-ferromagnetic phase is an intermediate charge transfer Mott-Hubbard insulator with an indirect bandgap of 3.31 eV. Fe(2)O(3), with anti-ferromagnetic order, is found to be a wide bandgap charge transfer semiconductor with a 2.41 eV gap. Interestingly sX outperforms the HSE functional for the bandgaps of these oxides.

Soft ferrite used as thermal-magnetic conversion intermedium in the flux pumping technology

Recent progress in material science has proved that high-temperature superconductors, such as bulk melt-processed yttrium barium copper oxide (YBCO) single domains, have a great potential to trap significant magnetic fields. In this paper, we will describe a novel method of YBCO magnetization that only requires the applied field to be at the level of a permanent magnet. Instead of applying a pulsed high magnetic field on the YBCO, a thermally actuated material (TAM), such as Mg0.15}hbox{Cu}0.15} hbox{Zn0.7 Ti0.04}Fe1.96boxO4, has been used as an intermedium to create a travelling magnetic field by changing the local temperature so that the local permeability is changed to build up the magnetization of the YBCO gradually after multiple pumping cycles. It is well known that the relative permeability of ferrite is a function of temperature and its electromagnetic properties can be greatly changed by adding dopants such as Mg or Ti; therefore, it is considered to be the most promising TAM for future flux pumping technology. Ferrite samples were fabricated by means of the conventional ceramic method with different dopants. Zinc and iron oxides were used as raw materials. The samples were sintered at 1100 C, 1200 C} , and 1300 C. The relative permeability of the samples was measured at temperatures ranging from 77 to 300 K. This work investigates the variation of the magnetic properties of ferrites with different heat treatments and doping elements and gives a smart insight into finding better ferrites suitable for flux pumping technology. © 2002-2011 IEEE.

Light absorption and electrical transport in Si:O alloys for photovoltaics

Thin films (100-500 nm) of the Si:O alloy have been systematically characterized in the optical absorption and electrical transport behavior, by varying the Si content from 43 up to 100 at. %. Magnetron sputtering or plasma enhanced chemical vapor deposition have been used for the Si:O alloy deposition, followed by annealing up to 1250 °C. Boron implantation (30 keV, 3-30× 1014 B/cm2) on selected samples was performed to vary the electrical sheet resistance measured by the four-point collinear probe method. Transmittance and reflectance spectra have been extracted and combined to estimate the absorption spectra and the optical band gap, by means of the Tauc analysis. Raman spectroscopy was also employed to follow the amorphous-crystalline (a-c) transition of the Si domains contained in the Si:O films. The optical absorption and the electrical transport of Si:O films can be continuously and independently modulated by acting on different parameters. The light absorption increases (by one decade) with the Si content in the 43-100 at. % range, determining an optical band gap which can be continuously modulated into the 2.6-1.6 eV range, respectively. The a-c phase transition in Si:O films, causing a significant reduction in the absorption coefficient, occurs at increasing temperatures (from 600 to 1100 °C) as the Si content decreases. The electrical resistivity of Si:O films can be varied among five decades, being essentially dominated by the number of Si grains and by the doping. Si:O alloys with Si content in the 60-90 at. % range (named oxygen rich silicon films), are proved to join an appealing optical gap with a viable conductivity, being a good candidate for increasing the conversion efficiency of thin-film photovoltaic cell. © 2010 American Institute of Physics.

Ti-Si系统硅化物形成及其化学键性质的研究

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In(Ti,Sn)-O 与Sn(Pb)Zn-Te 的电子结构研究

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Formation of high reflective Ni/Ag/Ti/Au contact on p-GaN

A metallization scheme of Ni/Ag/Ti/Au has been developed for obtaining high reflective contacts on p-type GaN. In order to find optimal conditions to get a high reflectivity, we studied samples with various Ni thicknesses, annealing temperatures and annealing times. By annealing at 500 degrees C for 5 min in an O-2 ambient, a reflectivity as high as 94% was obtained from Ni/Ag/Ti/Au (1/120/120/50 nm). The effects of Ti layers on the suppression of Ag agglomeration were investigated by using Auger electron spectroscopy (AES). From AES depth profiles, it is clear that Ti acts as a diffusion barrier to prevent Au atoms from diffusing into the Ag layer, which is important in the formation of high reflectivity.

Elasticity, band structure, and piezoelectricity of BexZn1-xO alloys

Lattice constants, elasticity, band structure and piezoelectricity of hexagonal wideband gap BexZn1-xO ternary alloys are calculatedusing firstprinciples methods. The alloys' lattice constants obey Vegard's law well. As Be concentration increases, the bulk modulus and Young's modulus of the alloys increase, whereas the piezoelectricity decreases. We predict that BexZn1-xO/GaN/substrate (x = 0.022) multilayer structure can be suitable for high-frequency surface acoustic wave device applications. Our calculated results are in good agreement with experimental data and other theoretical calculations. (c) 2008 Elsevier B.V. All rights reserved.