Structural, mechanical, thermodynamic, and electronic properties of thorium hydrides from first-principles

We perform first-principles calculations of the structural, electronic, mechanical, and thermodynamic properties of thorium hydrides (ThH2 and Th4H15) based on the density functional theory with generalized gradient approximation. The equilibrium geometries, the total and partial densities of states, charge density, elastic constants, elastic moduli, Poisson's ratio, and phonon dispersion curves for these materials are systematically investigated and analyzed in comparison with experiments and previous calculations. These results show that our calculated equilibrium structural parameters are well consistent with experiments. The Th-H bonds in all thorium hydrides exhibit weak covalent character, but the ionic properties for ThH2 and Th4H15 are different due to their different hydrogen concentration. It is found that while in ThH2 about 1.5 electrons transfer from each Th atom to H, in Th4H15 the charge transfer from each Th atom is around 2.1 electrons. Our calculated phonon spectrum for the stable body-centered tetragonal phase of ThH2 accords well with experiments. In addition we show that ThH2 in the fluorite phase is mechanically and dynamically unstable.

Hydrogen sensors based on AlGaN/AIN/GaN HEMT

Pt/AlGaN/AIN/GaN high electron mobility transistors (HEMT) were fabricated and characterized for hydrogen sensing. Pt and Ti/Al/Ni/Au metals were evaporated to form the Schottky contact and the ohmic contact, respectively. The sensors can be operated in either the field effect transistor (FET) mode or the Schottky diode mode. Current changes and time dependence of the sensors under the FET and diode modes were compared. When the sensor was operated in the FET mode, the sensor can have larger current change of 8 mA, but its sensitivity is only about 0.2. In the diode mode, the current change was very small under the reverse bias but it increased greatly and gradually saturated at 0.8 mA under the forward bias. The sensor had much higher sensitivity when operated in the diode mode than in the FET mode. The oxygen in the air could accelerate the desorption of the hydrogen and the recovery of the sensor. (c) 2007 Elsevier Ltd. All rights reserved.

Hydrogen sensors based on AlGaN/AIN/GaN Schottky diodes

Pt/AlGaN/AIN/GaN Schottky diodes are fabricated and characterized for hydrogen sensing. The Pt Schottky contact and the Ti/Al/Ni/Au ohmic contact are formed by evaporation. Both the forward and reverse currents of the device increase greatly when exposed to hydrogen gas. A shift of 0.3 V at 300K is obtained at a fixed forward current after switching from N-2 to 10%H-2+N-2. The sensor responses under different concentrations from 50ppm H-2 to 10%H-2+N-2 at 373K are investigated. Time dependences of the device forward current at 0.5 V forward bias in N-2 and air atmosphere at 300 and 373K are compared. Oxygen in air accelerates the desorption of the hydrogen and the recovery of the sensor. Finally, the decrease of the Schottky barrier height and sensitivity of the sensor are calculated.

Enhancement of conductivity and transmittance of ZnO films by post hydrogen plasma treatment

We studied the effects of hydrogen plasma treatment on the electrical and optical properties of ZnO films deposited by radio frequency magnetron sputtering. It is found that the ZnO H film is highly transparent with the average transmittance of 92% in the visible range. Both carrier concentration and mobility are increased after hydrogen plasma treatment, correspondingly, the resistivity of the ZnO H films achieves the order of 10(-3) cm. We suggest that the incorporated hydrogen not only passivates most of the defects and/or acceptors present, but also introduces shallow donor states such as the V-O-H complex and the interstitial hydrogen H-i. Moreover, the annealing data indicate that H-i is unstable in ZnO, while the V-O-H complex remains stable on the whole at 400 degrees C, and the latter diffuses out when the annealing temperature increases to 500 degrees C. These results make ZnO H more attractive for future applications as transparent conducting electrodes.

Enhancement of field emission of the ZnO film by the reduced work function and the increased conductivity via hydrogen plasma treatment

The ZnO films deposited by magnetron sputtering were treated by H/O plasma. It is found that the field emission (FE) characteristics of the ZnO film are considerably improved after H-plasma treatment and slightly deteriorated after O-plasma treatment. The improvement of FE characteristics is attributed to the reduced work function and the increased conductivity of the ZnO H films. Conductive atomic force microscopy was employed to investigate the effect of the plasma treatment on the nanoscale conductivity of ZnO, these findings correlate well with the FE data and facilitate a clearer description of electron emission from the ZnO H films.

Single-photon source in strong photon-atom interaction regime in quasiperiodic photonic crystals

The antibunching properties of the fluorescence from a two-level ideal system in a 12-fold quasiperiodic photonic crystal are investigated based on the calculated local density of states. We found that the antibunching phenomenon of the fluorescence from two-level ideal systems could be significantly changed by varying their positions, i.e., perfect antibunching and antibunching with damped Rabi oscillation phenomenon occurred in different positions and at different frequencies in photonic crystals as a result of the large differences in the local density of states. This study revealed that the multi-level coherence of fluorescence from a two-level ideal system could be manipulated by controlling the position of the two-level ideal system in photonic crystals and the emission frequency in the photonic band structure. Copyright (C) EPLA, 2008

Impacts of hydrogen dilution on growth and optical properties of a-SiC : H films

Hydrogenated amorphous silicon-carbon (a-SiC:H) films were deposited by plasma enhanced chemical vapor deposition (PECVD) with a fixed methane to silane ratio ([CH4]/[SiH4]) of 1.2 and a wide range of hydrogen dilution (R-H=[H-2]/[SiH4 + CH4]) values of 12, 22, 33, 102 and 135. The impacts of RH on the structural and optical properties of the films were investigated by using UV-VIS transmission, Fourier transform infrared (FTIR) absorption, Raman scattering and photoluminescence (PL) measurements. The effects of high temperature annealing on the films were also probed. It is found that with increasing hydrogen dilution, the optical band gap increases, and the PL peak blueshifts from similar to1.43 to 1.62 eV. In annealed state, the room temperature PL peak for the low R-H samples disappears, while the PL peak for the high R-H samples appears at similar to 2.08 eV, which is attributed to nanocrystalline Si particles confined by Si-C and Si-O bonds.

The compact microcrystalline Si thin film with structure uniformity in the growth direction by hydrogen dilution profile

The hydrogen dilution profiling (HDP) technique has been developed to improve the quality and the crystalline uniformity in the growth direction of mu c-Si:H thin films prepared by hot-wire chemical-vapor deposition. The high H dilution in the initial growth stage reduces the amorphous transition layer from 30-50 to less than 10 nm. The uniformity of crystalline content X-c in the growth direction was much improved by the proper design of hydrogen dilution profiling which effectively controls the nonuniform transition region of Xc from 300 to less than 30 nm. Furthermore, the HDP approach restrains the formation of microvoids in mu c-Si: H thin films with a high Xc and enhances the compactness of the film. As a result the stability of mu c-Si: H thin films by HDP against the oxygen diffusion, as well as the electrical property, is much improved. (c) 2005 American Institute of Physics.

Impact of hydrogen dilution on microstructure and optoelectronic properties of silicon films deposited using tirisilane

We explored the deposition of hydrogenated amorphous silicon (a-Si: H) using trisilane (Si3H8) as a gas precursor in a radiofrequency plasma enhanced chemical vapour deposition process and studied the suitability of this material for photovoltaic applications. The impact of hydrogen dilution on the deposition rate and microstructure of the films is systematically examined. Materials deposited using trisilane are compared with that using disilane (Si2H6). It is found that when using Si3H8 as the gas precursor the deposition rate increases by a factor of similar to 1.5 for the same hydrogen dilution (R = [H-2]/[Si3H8] or [H-2]/[Si2H6])- Moreover, the structural transition from amorphous to nanocrystalline occurs at a higher hydrogen dilution level for Si3H8 and the transition is more gradual as compared with Si2H6 deposited films. Single-junction n-i-p a-Si: H solar cells were prepared with intrinsic layers deposited using Si3H8 or Si2H6. The dependence of open circuit voltage (V-oc) on hydrogen dilution was investigated. V-oc greater than 1 V can be obtained when the i-layers are deposited at a hydrogen dilution of 180 and 100 using Si3H8 and Si2H6, respectively.

Thermally induced Fe atom transition from substitutional to interstitial sites in InP and its influence on material property

As-grown Fe-doped semi-insulating InP single crystal has been converted into n-type low-resistance material after high temperature annealing. Defects in the InP materials have been studied by conventional Hall effect measurement, thermally stimulated current spectroscopy, deep level transient spectroscopy and X-ray diffraction respectively. The results indicate that Fe atoms in the InP material change from the substitutional to the interstitial sites under thermal activation. Consequently, the InP material loses its deep compensation centers which results in the change in types of conduction. The mechanism and cause of the phenomena have been analyzed through comparison of the sites of Fe atom occupation and activation in doping, diffusion and ion implantation processes of InP.