EMPIRICAL PSEUDOPOTENTIAL BAND-STRUCTURE CALCULATION FOR ZN1-XCDXSYSE1-Y QUATERNARY ALLOY

The band structure of the Zn1-xCdxSySe1-y quaternary alloy is calculated using the empirical pseudopotential method and the virtual crystal approximation. The alloy is found to be a direct-gap semiconductor for all x and y composition. Polynomial approximation is obtained for the energy gap as a function of the composition x and y. Electron and hole effective masses are also calculated along various symmetry axes for different compositions and the results agree fairly well with available experimental values.

GROWTH OF WIDE-BAND GAP IMMISCIBLE II-VI ALLOYS BY METALORGANIC VAPOR-PHASE EPITAXY

Although metalorganic vapor phase epitaxy (MOVPE) is generally regarded as a non-equillibrium process, it can be assumed that a chemical equilibrium is established at the vapor-solid interface in the diffusion limited region of growth rate. In this paper, an equilibrium model was proposed to calculate the relation between vapor and solid compositions for II-VI ternary alloys. Metastable alloys in the miscibility gap may not be obtained when the growth temperature is lower than the critical temperature of the system. The influence of growth temperature, reactor pressure, input VI/II ratio, and input composition of group VI reactants has been calculated for ZnSSe, ZnSeTe and ZnSTe. The results are compared with experimental data for the ZnSSe and ZnSTe systems.

INTERVALLEY GAMMA-CHI DEFORMATION POTENTIALS IN III-V ZINCBLENDE SEMICONDUCTORS BY ABINITIO PSEUDOPOTENTIAL CALCULATIONS

Intervalley GAMMA-X deformation-potential constants (IVDP's) have been calculated by use of a first-principles pseudopotential method for the III-V zinc-blende semiconductors AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, and InSb. When the calculated IVDP's of LA phonons for GaP, InP, and InAs and of LO phonons for AlAs, AlSb, GaAs, GaSb, and InSb are compared with results of a previous calculation that used the empirical pseudopotential method (EPM) and a rigid-ion approximation, good agreement is found. However, our ab initio pseudopotential results on IVDP's of LA phonons for AlAs, AlSb, GaAs, GaSb, and InSb and of LO phonons for GaP, InP, and InAs are about one order of magnitude smaller than those obtained by use of EPM calculations, indicating that the electron redistribution accompanying crystal-lattice deformation has a significant effect on GAMMA-X intervalley scattering for these phonon modes when the anions are being displaced. In our calculations the LA- and LO-phonon modes at the X point have been evaluated in the frozen-phonon approximation. We have also obtained the LAX- and LOX-phonon frequencies for these materials from total-energy calculations, which agree very well with experimental values for these semiconductors. We have also calculated GAMMA-X hole-phonon scattering matrix elements for the top valence bands in these nine semiconductors, from which the GAMMA-X IVDP's of the top valence bands for the longitudinal phonons and transverse phonons are evaluated, respectively.

1ST PRINCIPLES PSEUDOPOTENTIAL CALCULATIONS OF ZONE BOUNDARY PHONON FREQUENCIES OF III-V-ZINCBLENDE SEMICONDUCTORS

Longitudinal zone boundary X phonon frequencies have been calculated by a first principles pseudopotential method for III-V zincblende semiconductors AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs and InSb. The phonon frequencies have been evaluated from total energy calculations in the frozen phonon approximation. The calculated phonon frequencies agree very well with the experimental values.

Growth of GaN layers on GaAs and GaP (111) and (001) substrates by molecular beam epitaxy

Films of GaN have been grown using a modified MBE technique in which the active nitrogen is supplied from an RF plasma source. Wurtzite films grown on (001) oriented GaAs substrates show highly defective, ordered polycrystalline growth with a columnar structure, the (0001) planes of the layers being parallel to the (001) planes of the GaAs substrate. Films grown using a coincident As flux, however, have a single crystal zinc-blende growth mode. They have better structural and optical properties. To improve the properties of the wurtzite films we have studied the growth of such films on (111) oriented GaAs and GaP substrates. The improved structural properties of such films, assessed using X-ray and TEM method, correlate with better low-temperature FL.

Improvement of the stability of hydrogenated amorphous silicon films by intermittent illumination treatment at elevated temperature

The intermittent illumination treatment by white light at elevated temperature is proved to be a convenient and efficient method for the improvement of the stability of hydrogenated amorphous silicon (a-Si:H) films. The effect of the treatment on electrical properties, light-induced degradation, and gap states of undoped a-Si:H films has been investigated in detail. With the increase of cycling number, the dark- as well as photo-conductivities in annealed state and light-soaked state approach each other, presenting an unique irreversible effect. The stabilization and ordering processes by the present treatment can not be achieved merely by annealing under the same conditions. It is shown that the treatment proposed here results in a shift to higher values of the energy barriers between defects and their precursors, and hence an improved stability of a-Si:H films. (C) 1996 American Institute of Physics.

First-principles investigation of the electronic structure and magnetism of eskolaite

The electronic structure and magnetism of eskolaite are studied by using first-principles calculations where the on-site Coulomb interaction and the exchange interaction are taken into account and the LSDA+U method is used.The calculated energies of magnetic configurations are very well fitted by the Heisenberg Hamiltonian with interactions in five neighbour shells; interaction with two nearest neighbours is found to be dominant. The Neel temperature is calculated in the spin-3/2 pair-cluster approximation. It is found that the measurements are in good agreement with for the values of U and J that are close to those obtained within the constrained occupation method.The band gap is of the Mott-Hubbard type.

Growth of 0.55eV-GaInAsSb Quaternary Alloy Films for a Thermophotovoltaic Device by Liquid Phase Epitaxy

Lattice matched Ga_(1-x)In_xAs_ySb_(1-y) quaternary alloy films for thermophotovoltaic cells were successfully grown on n-type GaSb substrates by liquid phase epitaxy. Mirror-like surfaces for the epitaxial layers were achieved and evaluated by atomic force microscopy. The composition of the Ga_(1-x)In_xAs_ySb_(1-y) layer was characterized by energy dispersive X-ray analysis with the result that x = 0.2, y = 0.17. The absorption edges of the Ga_(1-x)In_xAs_ySb_(1-y) films were determined to be 2. 256μm at room temperature by Fourier transform infrared transmission spectrum analysis, corresponding to an energy gap of 0.55eV. Hall measurements show that the highest obtained electron mobility in the undoped p-type samples is 512cm2~/(V·s) and the carrier density is 6. 1×10~(16)cm~(-3) at room temperature. Finally, GaInAsSb based thermophotovoltaic cells in different structures with quantum efficiency values of around 60% were fabricated and the spectrum response characteristics of the cells are discussed.

Study of intensity-dependent nonlinear optical coefficients of GaP optical crystal at 800 nm by femtosecond pump-probe experiment

The intensity-dependent two-photon absorption and nonlinear refraction coefficients of GaP optical crystal at 800 nm were measured with time-resolved femtosecond pump-probe technique. A nonlinear refraction coefficient of 1.7*10^(-17) m2/W and a two-photon absorption coefficient of 1.5*10^(-12) m/W of GaP crystal were obtained at a pump intensity of 3.5*10^(12) W/m2. The nonlinear refraction coefficient saturates at 3.5*10^(12) W/m2, while the two-photon absorption coefficient keeps linear increase at 6*10^(12) W/m2. Furthermore, fifth-order nonlinear refraction of the GaP optical crystal was revealed to occur above pump intensity of 3.5*10^(12) W/m2.

纳米碳管模板法制取的GaP纳米棒拉曼光谱研究

报道了用纳米碳管模板法制备的GaP纳米棒的拉曼光谱特征，观测到声子限制效应引起的GaP纳米棒TO和LO模的红移，红移量一般在2－10cm^-1之间，与所测到的纳米棒的尺寸有关，在偏振特性研究中，发现GaP纳米棒的偏振特性不能用单根纳米棒的选择定则来解释，而与测量光斑内多根纳米棒的无序取向有关，无序程度越高，偏振特性的方向性越弱，当激发光功率增加时，GaP纳米棒的TO和LO模的频率显著减少，表明纳米棒中的激光加热效应比体材料中强很多，而且GaP纳米棒的拉曼散射强度随激发光功率的增加先饱和，然后减小，表明在强激发功率下GaP纳米棒中的缺陷会迅速增加。

GaP∶NLPE片的纵向载流子浓度分布

于2010-11-23批量导入