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.

Modelling and design of stress-induced martensite formation in metastable β Ti alloys

The temperature dependence of the stress-induced martensite (SIM) formation in a Ti-10V-2Fe-3Al (Ti-1023) alloy under compressive loading has been studied. At low temperatures, the stress level at which martensite starts to form increases linearly with the deformation temperature, while the stress at which the deformation switches to regular plastic deformation is roughly temperature independent. A thermostatistical model for dislocation evolution is employed to describe deformation twinning in martensite. Combined effects of twinning induced plasticity and solid solution strengthening are considered in terms of temperature variations. The SIM effect disappears on deformation at temperatures beyond ~ 233 ° C, which is close to the predicted Ms temperature of 240°C. The thermostatistical model predicts a transition from twinned martensite to pure slip at 250°C. By providing a model to predict the martensite formation, and by describing deformation twinning, the present work provides a number of tools that may be employed to conceive new titanium alloys combining improved strength and ductility. © 2013 Elsevier B.V.

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.

A density-functional study of Al-doped Ti clusters: TinAl (n=1-13)

Equilibrium geometries, stabilities, and electronic properties of TinAl (n=1-13) clusters have been studied by using density-functional theory with local spin density approximation and generalized gradient approximation. The ground-state structures of TinAl clusters have been obtained. The resulting geometries show that the aluminum atom remains on the surface of clusters for n<9, but is slowly getting trapped beyond n=9, meanwhile, the Al atom exhibits a valent transition from monovalent to trivalent. The geometric effects and electronic effects clearly demonstrate the Ti4Al cluster to be endowed with special stability. The studies on the bonds indicate the change from ionic to metalliclike. (C) 2004 American Institute of Physics.

Self-starting mode-locked femtosecond Ti : sapphire laser using saturable, Bragg reflector(SBR)

Stable self-starting mode-locking states in a compact Ti: sapphire laser incorporating a home-made SBR with low loss double quanturn-well and low temperature and surface state hybrid absorber are investigated experimentally. The three mode-locking states, i.e. the passive mode-locking with a saturable absorber, the solition mode-locking and the Kerr-lens mode-locking have been successfully demonstrated. In this laser, chirped mirrors are used for dispersion compensation, and the 18 fs pulses are produced from the Kerr-lens mode-locking at 4.5W pump power, and output power is 150mW.

Study on the reverse characteristics of Ti/6H-SiC Schottky contacts

The reverse I(V) measurement and analytic calculation of the electron transport across a Ti/6H-SiC Schottky barrier are presented. Based on the consideration of the barrier fluctuations and the barrier height shift caused by image charge and the applied voltage drop across Ti/SiC interfical layer, a comprehensive analytical model for the reverse tunneling current is developed using a WKB calculation of the tunneling probability through a reverse biased Schottky barrier. This model takes into account the main reverse conduction mechanism, such as field emission, thermionic field emission and thermionic emission. The fact that the simulated results are in good agreement with the experimental data indicates that the barrier height shift and barrier fluctuation can lead to reverse current densities orders of magnitude higher than that obtained from a simple theory. It is shown that the field and thermionic field emission processes, in which carries can tunnel through the barrier but cannot surmount it with insufficient thermal energy, dominate the reverse characteristics of a SiC Schottky contacts in a normal working condition.

Effect of rapid thermal annealing on Ti-AlN interfaces

The interface diffusion, reaction, and adherence of rapid thermal annealed Ti/ALN were investigated by RES, AES, SIMS, XRD and a scratch test. The experimental results show that diffusion and reaction occurs at the interface of Ti/AlN when the sample is rapidly annealed. During annealing, both the O adsorbed on the surface and doped in the AlN substrate diffuse into the Ti film. At low temperature TiO2 is produced. At higher temperature O reacts with the diffused Al in the Ti film and produces an Al2O3 layer in the middle of the film. N diffuses into the Ti film and produces TiN with an interface reaction. Ti oxide is produced at the interface between the film and the substrate. Scratch test results show that interface adherence is distinctly improved by rapid annealing at low temperature and decreases at higher temperature. (C) 1999 Elsevier Science B.V. All rights reserved.