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.

SHEAR-DEFORMATION-POTENTIAL CONSTANT OF THE CONDUCTION-BAND MINIMA OF SI - EXPERIMENTAL-DETERMINATION BY THE DEEP-LEVEL CAPACITANCE TRANSIENT METHOD

The shear-deformation-potential constant XI-u of the conduction-band minima of Si has been measured by a method which we called deep-level capacitance transient under uniaxial stress. The uniaxial-stress (F) dependence of the electron emission rate e(n) from deep levels to the split conduction-band minima of Si has been analyzed. Theoretical curves are in good agreement with experimental data for the S0 and S+ deep levels in Si. The values of XI-u obtained by the method are 11.1 +/- 0.3 eV at 148.9 K and 11.3 +/- 0.3 eV at 223.6 K. The analysis and the XI-u values obtained are also valuable for symmetry determination of deep electron traps in Si.

Deformation behaviour of electrodeposited nanocrystalline Ni with broad grain size distribution

In the present work, nanocrystalline Ni (nc-Ni) with a broad grain size distribution (BGSD) of 5-120 nm and an average grain size of 27.2 nm was prepared. The BGSD nc-Ni sample shows a similar strength and good ductility in comparison with electrodeposited nc-Ni with a narrow grain size distribution. The intracrystalline dislocation network was observed in the post-deformed microstructure confirming the conventional intracrystalline dislocation sliding mechanism in BGSD nc-Ni. The uniaxial tensile loading-unloading-loading deformation shows BGSD nc-Ni has the capability to store dislocations in the grain interior, which is very limited compared with that of coarse grained metals. For BGSD nc-Ni, the strain rate sensitivity of flow stress m enhances with decreasing strain rate. At the strain rate of 5 x 10(-6) s(-1), m was estimated to be 0.055. At the corresponding strain rate, the enhanced ductility along with the decreased strength was achievable, indicating activation of other deformation mechanisms, e. g. grain boundary sliding or diffusion.

EFFECT OF STRUCTURAL RELAXATION ON THE DEFORMATION BEHAVIOR OF A Zr64.13Cu15.75Ni10.12Al10 BULK METALLIC GLASS UNDER NANOINDENTATION

Structural relaxation by isothermal annealing below the glass transition temperature is conducted on a Zr64.13Cu15.75Ni10.12Al10 bulk metallic glass. The effect of structural relaxation on thermal and mechanical properties was investigated by differential scanning calorimetry and instrumented nanoindentation. The recovery of the enthalpy in the DSC curves indicates that thermally unstable defects were annihilated through structural relaxation. During nanoindentation, the structural relaxation did not have a significant influence on the serrated plastic flow behavior. However, Structural relaxation shows an obvious effect in increasing both the hardness and elastic modulus, which is attributed to the annihilation of thermally unstable defects that resulted from the relaxation.

EFFECT OF STRUCTURAL RELAXATION ON THE DEFORMATION BEHAVIOR OF A Zr64.13Cu15.75Ni10.12Al10 BULK METALLIC GLASS UNDER NANOINDENTATION

Structural relaxation by isothermal annealing below the glass transition temperature is conducted on a Zr64.13Cu15.75Ni10.12Al10 bulk metallic glass. The effect of structural relaxation on thermal and mechanical properties was investigated by differential scanning calorimetry and instrumented nanoindentation. The recovery of the enthalpy in the DSC curves indicates that thermally unstable defects were annihilated through structural relaxation. During nanoindentation, the structural relaxation did not have a significant influence on the serrated plastic flow behavior. However, Structural relaxation shows an obvious effect in increasing both the hardness and elastic modulus, which is attributed to the annihilation of thermally unstable defects that resulted from the relaxation.