INTERVALLEY-GAMMA-CHI DEFORMATION POTENTIALS IN III-V ZINCBLENDE AND SI SEMICONDUCTORS BY AB-INITIO PSEUDOPOTENTIAL CALCULATIONS

Intervalley GAMMA - X deformation potential constants (IVDP's) have been calculated by first principle pseudopotential method for the III-V zincblende semiconductors AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs and InSb. As a prototype crystal we have also carried out calculations on Si. When comparing the calculated IVDP's of LA phonon for GaP, InP and InAs and LO phonon for AlAs, AlSb, GaAs, GaSb and InSb with a previous calculation by EPM in rigid approximation, good agreements are found. However, our ab initio pseudopotential results of LA phonon for AlAs, AlSb, GaAs, GaSb and InSb and LO phonon for GaP, InP and InAs are about one order of magnitude smaller than those obtained by EPM calculations, which indicate that the electron redistributions upon the phonon deformations may be important in affecting GAMMA - X intervalley shatterings for these phonon modes when the anions are being displaced. In our calculations the phonon modes of LA and LO at X point have been evaluated in frozen phonon approximation. We have obtained, at the same time, the LAX and LOX phonon frequencies for these materials from total energy calculations. The calculated phonon frequencies agree very well with experimental values for these semiconductors.

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.

Structural studies of NixFe100-x/Mo magnetic multilayers by x-ray small-angle reflection and high-angle diffraction

Magnetic multilayers [NixFe100-x/Mo-30] grown by dc-magnetron sputtering were investigated by x-ray small-angle reflection and high-angle diffraction. Structural parameters of the multilayers such as the superlattice periods, the interfacial roughness, and interplane distance were obtained. It was found that for our NixFe100-x/Mo system, the Mo layer has bcc structure with [110] preferential orientation, while the preferential orientation of the NixFe100-x layer changes from a fee structure with [111] preferential orientation to a bcc structure with [110] preferential orientation with decreasing values of x. An intermixing layer located in the interlayer region between the NixFe100-x and Mo layers exists in the multilayers, and its thickness is almost invariant with respect to an increase of Mo layer thickness and/or a decrease of x in the region of x greater than or equal to 39. The thickness of the intermixing layer falls to zero when x less than or equal to 23.

穿透型V形坑对GaN基p-i-n结构紫外探测器反向漏电的影响

研究了GaN基p-i-n(p-AlGaN/i-GaN,n-GaN)结构紫外探测器的漏电机理.实验发现,在位错密度几乎相同的情况下,基于表面有较高密度的V形坑缺陷材料制备的器件表现出较高的反向漏电.进一步的SEM测试发现,这种V形坑穿透到有源区i-GaN、甚至n-GaN层.在制备p-AlGaN电极时,许多金属会落在V形坑中,从而与i-GaN形成了肖特基接触.有些甚至直接和n-GaN形成欧姆接触.正是由于并联的肖特基接触和欧姆接触的存在导致了漏电的增加.

非晶硅太阳电池光照J-V特性的AMPS模拟

运用AMPS(Analysis of Microelectronic and Photonic Structures)模拟分析了TCO/p-a-SiC:H/i-a-Si:H/n-a-Si:H/metal结构的异质结非晶硅太阳电池中的p/i界面的价带失配以及TCO/p,n/metal界面接触势垒对电池光电特性的影响.分析总结了非晶硅基薄膜太阳电池中J-V曲线异常拐弯现象的种类和可能原因.

电化学C-V法研究磁性GaMnSb/GaSb单晶的载流子浓度纵向分布

采用电化学C-V方法和Tiron电解液研究了GaMnSb/GaSb单晶载流子浓度的纵向分布，所得结果与Hall测量结果和X射线衍射分析结果一致。研究结果表明GaMnSb单晶中的Mn原子替代了GaSb中部分Ga原子的位置，并在GaSb中形成了浅受主能级。

赝配GaAs/In_(0.2)Ga_(0.8)As量子阱导带不连续量的C-V和电容瞬态测量

半导体材料开放实验室基金,国家自然科学基金

气态源分子束外延InP和InAs基Ⅲ-V族化合物材料

简要报告气态源分子束外延实验结果。材料是GaAs(100)衬底上外延的晶格匹配的In_y(Ga_(1-x)Al_x)_(1-y)P(x=0～1,y=0.5),InGaP/InAlP多量子阱;在InP(100)衬底上外延的InP,晶格匹配的InGaAs、InAlAs以及InP/InGaAs、InP/InAsP多量子阱,InGaAs/InAlAs HEMT等,外延实验是用国产第一台化学束外延(CBE)系统做的。

GaAs中4d过渡杂质Mo与Pd的光电行为

4d过渡杂质Mo、Pd在GaAs中分别引入E（0．42eV）、H（0．61eV）和E（0．66eV）、H（0．69eV）等能级。根据过渡杂质Mo和Pd在GaAs中的光电行为, 推测这些杂质在GaAs中不起有效复合中心的作用。图4参3

瞬态C-V方法对Al_xGa_(1-x)As中DX中心的研究

于2010-11-23批量导入