Ti-V-Cr固溶体储氢合金的结构及电化学性能研究

本论文首先研究了Ni、Zr分别对Ti-V－Cr固溶体储氢合金中Cr和Ti部分取代的影响，得到了性能良好的Ti0．17Zr0．08V0．35Cr0．10Ni030基质合金。在此基础上进一步研究了入甄、B、Fe、Co、Al元素的添加或取代对基质合金的结构及电化学性能的影响。采用XRD、ICP、SEM一EDX、XPS、EIS、线性极化和阳极极化等表征手段对Ti一V－Cr固溶体储氢合金的结构及电化学性能进行分析和表征，主要结果如下：①Ti一V－Cr合金自身在碱性电解液中几乎无电化学活性。当用Ni部分取代Cr后，合金中出现具有电化学活性的第二相，其电化学性能得到有效地改善和提高。②Ti0.25-xZr_xV0.35Cr0.1Ni0.3（x＝0．05-0．15）合金主要是由bcc相和c14Laves相组成。随Zr含量从0．05增加到0．08，合金电极的放电容量和倍率放电能力增加；当x继续从0．08增加到0．15时，其变化较小。合金电极的电荷转移电阻随x增加而降低，当x在0．08到0．15之间变化时，电荷转移电阻变化也比较小。表明电荷转移电阻的大小与合金的电化学性能密切相关。③经过50次充、放电循环后，Tio．17zr"sV时scrol0Ni03。合金电极在303K和313K的放电容量能保持在90％以上；在70℃时的放电容量仍能达到275mA���g。根据不同温度时的交换电流密度，计算了Ti。，17Zr008V时SCr川0Ni030合金电极表面电化学反应的表观活化能，其值约为50kJ／mol。④通过Nln、B、Fe、C。、AI对Tio．17zroosvo35Crol0Nio3。合金基质的添加与取代的研究，得到了具有高容量的储氢合金。其中Tio．17Zr008Vo35Cro．10Ni020Mnol。合金室温最高放电容量达到390n1A���g；在253一343K的温度范围内，Tiol7Zr08V035Cr0JONioz5Mnoos合金具有高的放电容量，其容量在167一298mA���g之间变化，但是这些合金的稳定性有待进一步的提高。⑤合金充、放电过程中，晶格的扭曲和膨胀、Zr和V的溶解使得合金结构发生变化；合金的严重粉化及表面致密氧化膜的形成，是导致Ti一V－Cr合金电化学性能的衰减的主要原因。

DETERMINATION OF THE SUBBAND ENERGY IN THE V-SHAPED POTENTIAL WELL OF DELTA-DOPED GAAS BY DEEP-LEVEL TRANSIENT SPECTROSCOPY

Using deep level transient spectroscopy (DLTS) the conduction-subband energy levels in a V-shaped potential well induced by Si-delta doping in GaAs were determined. Self-consistent calculation gives four subbands in the well below the Fermi level. Experimentally, two DLTS peaks due to electron emission from these subbands were observed. Another two subbands with low electron concentration are believed to be merged into the adjacent DLTS peak. A good agreement between self-consistent calculation and experiment was obtained. (C) 1994 American Institute of Physics.

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.

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���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。