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.

ELECTRON-TRANSPORT THROUGH GAALAS BARRIERS IN GAAS

We have analyzed electronic transport through a single, 200-angstrom-thick, Ga0.74Al0.36As barrier embedded in GaAs. At low temperatures and high electric field, the Fowler-Nordheim regime is observed, indicating that the barrier acts as insulating layers. At higher temperatures the thermionic regime provides an apparent barrier height, decreasing with the field, which is equal to the expected band offset when extrapolated to zero field. However, for some samples, the current is dominated by the presence of electron traps located in the barrier. A careful analysis of the temperature and field behavior of this current allows to deduce that the mechanism involved is field-enhanced emission from electron traps. The defects responsible are tentatively identified as DX centers, resulting from the contamination of the barrier by donor impurities.

KINEMATICAL STUDY OF GEXSI1-X/SI STRAINED-LAYER SUPERLATTICE BY A DOUBLE CRYSTAL X-RAY-DIFFRACTION METHOD

Two samples of nominal 20-period Ge0.20Si0.80(5 nm)/Si(25 nm) and Ge0.5Si0.5(5 nm)/Si(25 nm) strained-layer superlattices (SLSs) were studied by the double-crystal X-ray diffraction method. It is convenient to define the perpendicular strains relative to the average crystal. Computer simulations of the rocking curves were performed using a kinematical step model. An excellent agreement between the measured and simulated satellite patterns is achieved. The dependence of the sensitivity of the rocking curves to the structural parameters of the SLS, such as the alloying concentration x and the layer thicknesses and the L component of the reflection g = (HKL), are clearly demonstrated.

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.

INVESTIGATION OF GAAS/SI MATERIAL BY X-RAY DOUBLE-CRYSTAL DIFFRACTION

GaAs epilayer films on Si substrates grown by molecular-beam epitaxy were investigated by the x-ray double-crystal diffraction method. The rocking curves were recorded for different diffraction vectors of samples. The results show that the unit-cell volumes of GaAs epilayers are smaller than that of the GaAs bulk material. The strained-layer superlattice buffer layer can improve the quality of the film, especially in the surface lamella. The parameter W' = W(expt)/(square-root \gamma-h\/gamma-0/sin 2-theta-B) is introduced to describe the quality of different depths of epilayers. As the x-ray incident angle is increased, W' also increases, that is, the quality of the film deteriorates with increasing penetration distance of the x-ray beam. Therefore, W' can be considered as a parameter that describes the degree of perfection of the epilayer along the depth below the surface. The cross-section transmission electron microscopy observations agree with the results of x-ray double-crystal diffraction.

OPTICAL-PHONON MODES AND FROHLICH POTENTIAL IN ONE-DIMENSIONAL QUANTUM-WELL WIRES

By extending our microscopic model on optical-phonon modes in quantum wells to one-dimensional (1D) quantum-well wires (QWW), the optical displacements and associated electrostatic potentials of optical-phonon modes in 1D QWW are calculated. The modes can be clearly divided into confined LO bulklike, TO bulklike modes, and extended interfacelike modes provided the bulk phonon dispersion is ignored. The character of each type of mode is illustrated with special attention to the interfacelike modes, which are hybrids of longitudinal- and transverse-optical waves from the corresponding bulk materials. Based on the numerical results, approximate analytical formulas for bulklike modes are presented. As in 2D wells, both the optical displacements and Frohlich potentials for the bulklike modes vanish at the interfaces. The finite dispersion of bulk phonons has a more pronounced effect on the 1D phonon modes because interfacelike modes show mixed characteristics of 2D interface and bulklike modes.