Formation of high reflective Ni/Ag/Ti/Au contact on p-GaN

A metallization scheme of Ni/Ag/Ti/Au has been developed for obtaining high reflective contacts on p-type GaN. In order to find optimal conditions to get a high reflectivity, we studied samples with various Ni thicknesses, annealing temperatures and annealing times. By annealing at 500 degrees C for 5 min in an O-2 ambient, a reflectivity as high as 94% was obtained from Ni/Ag/Ti/Au (1/120/120/50 nm). The effects of Ti layers on the suppression of Ag agglomeration were investigated by using Auger electron spectroscopy (AES). From AES depth profiles, it is clear that Ti acts as a diffusion barrier to prevent Au atoms from diffusing into the Ag layer, which is important in the formation of high reflectivity.

Electronic structures of wurtzite ZnO, BeO, MgO and p-type doping in Zn1-xYxO (Y = Mg, Be)

Using the density function theory within the generalized gradient approximation, the band structures of wurtzite ZnO, BeO and MgO have been calculated. The effective-mass parameters are fitted using the calculated eigenvalues. The Dresselhaus spin-orbit effect appears in the k[1 00] direction, and is zero in the high symmetry direction k[00 1]. The orderings of valence band split by the crystal-field and spin-orbit coupling in wurtzite ZnO, BeO and MgO are identified by analyzing the wave function characters calculated by projecting the wave functions onto p-state in the spherical harmonics. For wurtzite ZnO, the ordering of valence band is Still Gamma(7) > Gamma(9) > Gamma(7) due to the negative spin-orbit coupling splitting energy and the positive crystal-field splitting energy. Thus, the Thomas' conclusion is confirmed. For wurtzite BeO and MgO, although their orderings of valence bands are Gamma(7) > Gamma(9) > Gamma(7) too, the origins of their orderings are different from that of wurtzite ZnO. Zn1-x,YxO (Y = Mg, Be) doped with N and P atoms have been studied using first-principles method. The calculated results show that N atom doped in Zn1-x BexO has more shallow acceptor energy level with increasing the concentration of Be atom. (C) 2008 Elsevier B.V. All rights reserved.

First-principles study on rutile TiO2 quantum dots

The electronic structure of rutile TiO2 quantum dots (QDs) are investigated via the first-principles band structure method. We first propose a model to passivate the rutile TiO2 surfaces for the local density approximation calculations. In this model pseudohydrogen atoms are used to passivate the surface dangling bonds, which remove the localized in-cap surface states in the TiO2 QDs. As the size of the QD decreases, the band gap evolves as E-g(dot) = E-g(bulk) + 73.70/d(1.93), where E-g(dot) and d are the band gap and diameter of the QD, and E-g(bulk) is the band gap of the bulk rutile TiO2. The valence band maximum and the conduction band minimum states of the QDs are distributed mostly in the interior of the QDs, and they well inherit the atomic characteristics of those states of the bulk rutile TiO2.

Abnormal ferroelectric response and enhancement of piezoelectricity of PbTiO3 under uniaxial compression

The ferroelectricity of rhombohedral PbTiO3 under uniaxial compression is investigated from first-principles study. Upon compression, the ferroelectricity decreases until a critical stress of -29 GPa and then increases with a further increase of the magnitude of the uniaxial compressive stress. We also find that uniaxial compression could enhance piezoelectricity and that the maximum piezoelectric coefficient d(33) occurs at sigma(33)=-49 GPa, which supports the experimentally observed piezoelectric behavior in rhombohedral Pb(Mg1/3Nb2/3O3)-0.32PbTiO(3) [Q. Wan, C. Chen, and Y. P. Shen, J. Appl. Phys. 98, 024103 (2005)]. Our calculated results show that the Pb, Ti, and O atoms have different contributions to the total polarization with increasing the magnitude of uniaxial compressive stress, and that when -sigma(33)>55 GPa, the Ti atoms no longer have contributions to the polarization, which leads to the changes of ferroelectricity and piezoelectricity. (C) 2008 American Institute of Physics.

Decay lifetime and evolution of semiconductor quantum dots in photonic crystals

Spontaneous emission from GaAs/AlGaAs quantum dots (QDs) embedded in photonic crystals with a narrow photonic band gap is studied theoretically. The results show that the decay lifetime is very sensitive to the sizes of QDs, and both inhibited and accelerated emission can occur, which had been indicated in a previous experiment. The Weisskopf-Wigner approximation, good for atoms and molecules, may be incorrect for QDs. A damped Rabi oscillation of the excited state with the transition frequency outside the photonic band gap may appear, which is impossible for atoms and molecules. (c) 2008 Elsevier Ltd. All rights reserved.

Structure and Electronic Properties of Saturated and Unsaturated Gallium Nitride Nanotubes

The atomic and electronic structures of saturated and unsaturated GaN nanotubes along the [001] direction with (100) lateral facets are studied using first-principles calculations. Atomic relaxation of nanotubes shows that appreciable distortion occurs in the unsaturated nanotubes. All the nanotubes considered, including saturated and unsaturated ones, exhibit semiconducting, with a direct band gap Surface states arisen from the 3-fold-coordinated N and Ga atoms at the lateral facets exist inside the bulklike band gap. When the nanotubes are saturated with hydrogen, these dangling bond bands are removed from the band gap, but the band gap decreases with increasing the wall thickness of the nanotubes.

Photoluminescence characteristics of GaAsSbN/GaAs epilayers lattice-matched to GaAs substrates

The photoluminescence (PL) characteristics of GaAsSbN/GaAs epilayers grown by molecular beam epitaxy (MBE) are carefully investigated. The results show that antimony (Sb) incorporation into GaNAs material has less influence on the N-induced localization states. For the same N concentration, GaAsSbN material can reach an emission wavelength near 1.3 mum more easily than GaInNAs material. The rapid thermal annealing (RTA) experiment shows that the annealing induced rearrangement of atoms and related blueshift in GaAsSbN epilayers are smaller than those in GaNAs and GaInNAs epilayers. The GaAsSbN material can keep a longer emission wavelength near 1.3 mum-emission even after the annealing treatment. Raman spectroscopy analysis gives further insight into the structure stability of GaAsSbN material after annealing. (C) 2004 Elsevier Ltd. All rights reserved.

Thermal annealing effect on InAs/InGaAs quantum dots grown by atomic layer molecular beam epitaxy

The effect of rapid thermal annealing on the InAs quantum dots (QDs) grown by atomic layer molecular beam epitaxy and capped with InGaAs layer has been investigated using transmission electron microscopy and photoluminescence (PL). Different from the previously reported results, no obvious blueshift of the PL emission of QDs is observed until the annealing temperature increases up to 800 degreesC. The size and shape of the QDs annealed at 750 degreesC have hardly changed indicating the relatively weak Ga/In interdiffusion, which is characterized by little blueshift of the PL peak of QDs. The QD size increases largely and a few large clusters can be observed after 800 degreesC RTA, implying the fast interdiffusion and the formation of InGaAs QDs. These results indicate that the delay of the blueshift of the PL peak of QDs is correlated with the abnormal interdiffusion process, which can be explained by two possible reasons: the reduction of excess-As-induced defects and the redistribution of In, Ga atoms around the InAs QDs resulted from the sub-monolayer deposition of InGaAs capping layer. (C) 2004 Elsevier B.V. All rights reserved.

Crystallization of amorphous Si films by pulsed laser annealing and their structural characteristics

Nanocrystalline silicon (nc-Si) films were prepared by pulsed laser annealed crystallization of amorphous silicon (alpha-Si) films on SiO2-coated quartz or glass substrates. The effect of laser energy density on structural characteristics of nc-Si films was investigated. The Ni-induced crystallization of the a-Si films was also discussed. The surface morphology and microstructure of these films were characterized by scanning electron microscopy, high-resolution electron microscopy, atomic force microscopy and Raman scattering spectroscopy. The results show that not only can the alpha-Si films be crystallized by the laser annealing technique, but also the size of Si nanocrystallites can be controlled by varying the laser energy density. Their average size is about 4-6 nm. We present a surface tension and interface strain model used for describing the laser annealed crystallization of the alpha-Si films. The doping of Ni atoms may effectively reduce the threshold value of laser energy density to crystallize the alpha-Si films, and the flocculent-like Si nanostructures could be formed by Ni-induced crystallization of the alpha-Si films.

Ga1-xMnxSb grown on GaSb substrate by liquid phase epitaxy

The Gal(1-x)Mn(x)Sb epilayer was prepared on the n-type GaSb substrate by liquid phase epitaxy. The structure of the Gal(1-x)Mn(x)Sb epilayer was analyzed by double-crystal X-ray diffraction. From the difference of the lattice constant between the GaSb substrate and the Ga1-xMnxSb epilayer, the Mn content in the Ga1-xMnxSb epilayer were calculated as x = 0.016. The elemental composition of Ga1-xMnxSb epilayer was analyzed by energy dispersive spectrometer. The carrier concentration was obtained by Hall measurement. The hole concentration in the Ga1-xMnxSb epilayer is 4.06 x 10(19)cm(-3). It indicates that most of the Mn atoms in Ga1-xMnxSb take the site of Ga, and play a role of acceptors. The current-voltage curve of the Ga1-xMnxSb/GaSb heterostructure was measured, and the rectifying effect is obvious. (C) 2003 Elsevier B.V. All rights reserved.

Singlet-triplet transition in quantum dots confined by triangular and bowl-like potentials: the effect of electric fields

We theoretically investigate the energy spectra of two-electron two-dimensional (2e 2D) quantum dots (QDs) confined by triangular potentials and bowl-like potentials in a magnetic field by exact diagonalization in the framework of effective mass theory. An in-plane electric field is,found to contribute to the singlet-triplet transition of the ground state of the 2e 2D QDs confined by triangular or bowl-like potentials in a perpendicular magnetic field. The stronger the in-plane electric field, the smaller the magnetic field for the total spin of the ground states in the dot systems to change from S = 0 to S = 1. However, the influence of an in-plane electric field on the singlet-triplet transition of the ground state of two electrons in a triangular QD modulated by a perpendicular magnetic field is quite small because the triangular potential just deviates from the harmonic potential well slightly. We End that the strength of the perpendicular magnetic field needed for the spin singlet-triplet transition of the ground state of the QD confined by a bowl-like potential is reduced drastically by applying an in-plane electric field.

Site controlling of InAs quantum wires on cleaved edges of AlGaAs/GaAs superlattices

Site-controlled InAs quantum wires were fabricated on cleaved edges of AlGaAs/GaAs superlattices (SLs) by solid source molecular beam epitaxy. The cleaved edge of AlGaAs/GaAs SLs acted as a nanopattern for selective overgrowth after selective etching. By just growing 2.0 ML InAs without high temperature degassing, site-controlled InAs quantum wires were fabricated on the cleaved edge. Furthermore, atomic force microscopy demonstrates the diffusion of In atoms is strong toward the [00 (1) over bar] direction on the (110) surface.

Photoluminescence pressure coefficients of InAs/GaAs quantum dots

We have investigated the ground exciton energy pressure coefficients of self-assembled InAs/GaAs quantum dots by calculating 21 systems with different quantum dot shape, size, and alloying profile using the atomistic empirical pseudopotential method. Our results confirm the experimentally observed significant reductions of the exciton energy pressure coefficients from the bulk values. We show that the nonlinear pressure coefficients of the bulk InAs and GaAs are responsible for these reductions, and the percentage of the electron wave function on top of GaAs atoms is responsible for the variation of this reduction. We also find a pressure coefficient versus exciton energy relationship which agrees quantitatively with the experimental results. We find linear relationships which can be used to get the information of the electron wave functions from exciton energy pressure coefficient measurements.

Pressure behavior of the alloy band edge and nitrogen-related centers in GaAs0.999N0.001

The photoluminescence of a GaAsN alloy with 0.1% nitrogen has been studied under pressures up to 8.5 GPa at 33, 70, and 130 K. At ambient pressure, emissions from both the GaAsN alloy conduction band edge and discrete nitrogen-related bound states are observed. Under applied pressure, these two types of emissions shift with rather different pressure coefficients: about 40 meV/GPa for the nitrogen-related features, and about 80 meV/GPa for the alloy band-edge emission. Beyond 1 GPa, these discrete nitrogen-related peaks broaden and evolve into a broad band. Three new photoluminescence bands emerge on the high-energy side of the broad band, when the pressure is above 2.5, 4.5, and 5.25 GPa, respectively, at 33 K. In view of their relative energy positions and pressure behavior, we have attributed these new emissions to the nitrogen-pair states NN3 and NN4, and the isolated nitrogen state N-x. In addition, we have attributed the high-energy component of the broad band formed above 1 GPa to resonant or near-resonant NN1 and NN2, and its main body to deeper cluster centers involving more than two nitrogen atoms. This study reveals the persistence of all the paired and isolated nitrogen-related impurity states, previously observed only in the dilute doping limit, into a rather high doping level. Additionally, we find that the responses of different N-related states to varying N-doping levels differ significantly and in a nontrivial manner.

Atomic configurations of dislocation core and twin boundaries in 3C-SiC studied by high-resolution electron microscopy

The defects in 3C-SiC film grown on (001) plane of Si substrate were studied using a 200 kV high-resolution electron microscope with point resolution of 0.2 nm. A posterior image processing technique, the image deconvolution, was utilized in combination with the image contrast analysis to distinguish atoms of Si from C distant from each other by 0.109 nm in the [110] projected image. The principle of the image processing technique utilized and the related image contrast theory is briefly presented. The procedures of transforming an experimental image that does not reflect the crystal structure intuitively into the structure map and of identifying Si and C atoms from the map are described. The atomic configurations for a 30 degrees partial dislocation and a microtwin have been derived at atomic level. It has been determined that the 30 degrees partial dislocation terminates in C atom and the segment of microtwin is sandwiched between two 180 degrees rotation twins. The corresponding stacking sequences are derived and atomic models are constructed according to the restored structure maps for both the 30 degrees partial dislocation and microtwin. Images were simulated based on the two models to affirm the above-mentioned results.