Residual donors and compensation in metalorganic chemical vapor deposition as-grown n-GaN

In our recent report, [Xu , Appl. Phys. Lett. 76, 152 (2000)], profile distributions of five elements in the GaN/sapphire system have been obtained using secondary ion-mass spectroscopy. The results suggested that a thin degenerate n(+) layer at the interface is the main source of the n-type conductivity for the whole film. The further studies in this article show that this n(+) conductivity is not only from the contribution of nitride-site oxygen (O-N), but also from the gallium-site silicon (Si-Ga) donors, with activation energies 2 meV (for O-N) and 42 meV (for Si-Ga), respectively. On the other hand, Al incorporated on the Ga sublattice reduces the concentration of compensating Ga-vacancy acceptors. The two-donor two-layer conduction, including Hall carrier concentration and mobility, has been modeled by separating the GaN film into a thin interface layer and a main bulk layer of the GaN film. The bulk layer conductivity is to be found mainly from a near-surface thin layer and is temperature dependent. Si-Ga and O-N should also be shallow donors and V-Ga-O or V-Ga-Al should be compensation sites in the bulk layer. The best fits for the Hall mobility and the Hall concentration in the bulk layer were obtained by taking the acceptor concentration N-A=1.8x10(17) cm(-3), the second donor concentration N-D2=1.0x10(18) cm(-3), and the compensation ratio C=N-A/N-D1=0.6, which is consistent with Rode's theory. Saturation of carriers and the low value of carrier mobility at low temperature can also be well explained. (C) 2001 American Institute of Physics.

Pressure behaviour of the UV and green emission bands in ZnO micro-rods

The pressure behavior of the ultraviolet (UV) and green emission bands in ZnO tetrapod-like micro-rods has been investigated at 300 and 70 K, respectively. The pressure coefficient of the UV band at 300 K is 24.5 meV/GPa, consistent with that of the band gap of bulk ZnO. However, the pressure coefficient of the green band is 25 meV/GPa, far larger than previous literature reports. The green band in this work originates from Cu-related emission, as confirmed by the fine structure observed in the spectra at 10 K. The pressure coefficients of four phonon replicas of the free exciton emission (FX) at 70 K are 21.0, 20.2, 19.8, and 19.3 meV/GPa, respectively. The energy shift rate of the FX emission and the LO phonon energies is then determined to be 21.4 and 0.55 meV/GPa. The pressure coefficient of the neutral donor bound exciton ((DX)-X-0) transition is 20.5 meV/GPa, only 4% smaller than that of FX. This confirms that the (DX)-X-0 emission corresponds to excitons bound to neutral shallow donors. (C) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of annealing ambient on the formation of compensation defects in InP

Positron annihilation lifetime (PAL) and photoinduced current transient spectroscopies (PICTS) have been employed to study the formation of compensation defects in undoped InP under different annealing processes with pure phosphorus (PP) ambience and iron phosphide (IP) ambience, respectively. The different annealing ambiences convert the as-grown n-type undoped InP into two types of semi-insulating (SI) states. The positron average lifetimes of as-grown InP, PP SI-InP, and IP SI-InP are found to be 246, 251, and 243 ps, respectively, which are all longer than the bulk lifetime of 240 ps, indicating the existence of vacancy-type positron-trapping defects. For as-grown InP, VInH4 complexes are the dominant defects. They dissociate into VInHn(0less than or equal tonless than or equal to3) acceptor vacancies under PP ambience annealing, compensating the residual shallow donors and turning the material semi-insulating. In forming IP SI-InP, diffusion of iron into V-In complexes under IP ambience annealing produces the substitutional compensation defect Fe-In, causing a shorter positron average lifetime. The PICTS measurements show that a group of vacancy-type defects has been suppressed by iron diffusion during the annealing process, which is in good agreement with the PAL results. (C) 2003 American Institute of Physics.

Study of GaN thin films grown on vicinal SiC (0001) substrates by molecular beam epitaxy

A detailed study of the characteristics of undoped GaN films, grown on either vicinal or nominal flat SiC (0001) substrates by molecular beam epitaxy, has been carried out using photoluminescence and Raman scattering techniques. The I I K photoluminescence spectra of the GaN film grown on the vicinal SiC (0001) substrate show a strong and sharp near-bandgap peak (full width at half maximum (FWHM) similar to 16 meV). This feature contrasts with that of the GaN film grown on the nominal flat SiC (0001) substrate where the I I K photoluminescence spectra exhibit the near-bandgap peak (FWHM similar to 25 meV) and the intensity is approximately seven times weaker than that of the vicinal film sample. The redshift of the near-bandgap peak associated with excitons bound to shallow donors is related to the stress caused by both the lattice mismatch and the thermal expansion coefficient difference between GaN and SiC substrates. The measured thermal activation energy of the shallow donor of 33.4 meV is determined by using an Arrhenius plot of the near-bandgap luminescence versus I IT from the slope of the graph at high temperature. The temperature dependence of the FWHM of the near-bandgap luminescence has also been studied. The Raman scattering measurements from the vicinal film reveal that the E-2 phonon peak is strengthened and the A(1)(LO) phonon peak is shifted towards the low-frequency side with enhanced intensity, in comparison to that from the nominal flat film, suggesting a reduction in the density of defects and a lower free carrier concentration in the vicinal GaN film.

Electronic and vibrational Raman scattering in resonance with yellow luminescence transitions in GaN on sapphire substrate

We analyze low-temperature Raman and photoluminescence spectra of MBE-grown GaN layers on sapphire. Strong and sharp Raman peaks are observed in the low frequency region. These peaks, which are enhanced by excitation in resonance with yellow luminescence transitions, are attributed to electronic transitions related to shallow donor levels in hexagonal GaN. It is proposed that a low frequency Raman peak at 11.7 meV is caused by a pseudo-local vibration mode related to defects involved in yellow luminescence transitions. The dependence of the photoluminescence spectra on temperature gives additional information about the residual impurities in these GaN layers.

LITHIUM PASSIVATION OF ZN AND CD ACCEPTORS IN P-TYPE GAAS

We report lithium passivation of the shallow acceptors Zn and Cd in p-type GaAs which we attribute to the formation of neutral Li-Zn and Li-Cd complexes. Similar to hydrogen, another group-I element, lithium strongly reduces the concentration of free holes when introduced into p-type GaAs. The passivation is inferred from an increase of both the hole mobility and the resisitivity throughout the bulk of the sample. It is observed most clearly for Li concentrations comparable to the shallow-acceptor concentration. In addition, compensation of shallow acceptors by randomly distributed donors is present in varying degree in the Li-diffused samples. Unlike hydrogenation of n-type GaAs, Li doping shows no evidence of neutralizing shallow donors in GaAs.

Electronic and vibrational Raman scattering in resonance with yellow luminescence transitions in GaN on sapphire substrate

We analyze low-temperature Raman and photoluminescence spectra of MBE-grown GaN layers on sapphire. Strong and sharp Raman peaks are observed in the low frequency region. These peaks, which are enhanced by excitation in resonance with yellow luminescence transitions, are attributed to electronic transitions related to shallow donor levels in hexagonal GaN. It is proposed that a low frequency Raman peak at 11.7 meV is caused by a pseudo-local vibration mode related to defects involved in yellow luminescence transitions. The dependence of the photoluminescence spectra on temperature gives additional information about the residual impurities in these GaN layers.

Donor-donor binding in In2O3: Engineering shallow donor levels

Using first-principles band structure methods, we investigate the interactions between different donors in In2O3. Through the formation energy and transition energy level calculations, we find that an oxygen-vacancy creates a deep donor level, while an indium-interstitial or a tin-dopant induces a shallow donor level. The coupling between these donor levels gives rise to even shallower donor levels and leads to a significant reduction in their formation energies. Based on the analysis of the PBE0-corrected band structure and the molecular-orbital bonding diagram, we demonstrate these effects of donor-donor binding. In addition, total energy calculations show that these defect pairs tend to be more stable with respect to the isolated defects due to their negative binding energies. Thus, we may design shallow donor levels to enhance the electrical conductivity via the donor donor binding.

Mutual passivation of donors and isovalent nitrogen in GaAs

We study the mutual passivation of shallow donor and isovalent N in GaAs. We find that all the donor impurities, Si-Ga, Ge-Ga, S-As, and Se-As, bind to N in GaAsN, which has a large N-induced band-gap reduction relative to GaAs. For a group-IV impurity such as Si, the formation of the nearest-neighbor Si-Ga-N-As defect complex creates a deep donor level below the conduction band minimum (CBM). The coupling between this defect level with the CBM pushes the CBM upwards, thus restoring the GaAs band gap; the lowering of the defect level relative to the isolated Si-Ga shallow donor level is responsible for the increased electrical resistivity. Therefore, Si and N mutually passivate each other's electrical and optical activities in GaAs. For a group-VI shallow donor such as S, the binding between S-As and N-As does not form a direct bond; therefore, no mutual passivation exists in the GaAs(S+N) system.

Residual donors in undoped LEC InP

Undoped liquid encapsulated Czochralski (LEC) InP samples have been studied by Hall effect, glow discharge mass spectroscopy (GDMS) and infrared absorption spectroscopy. A systematic discrepancy has been found between the Han electron concentration and net donor concentration measured by GDMS. The electron concentration is always higher than the net shallow donor concentration by about (3-6)x10(15)cm(-3). A hydrogen indium vacancy complex donor defect VInH4 was detected regularly by infrared absorption spectroscopy in all undoped LEC InP samples. The fact can be explained by taking into account the existence of the donor defect in as-grown undoped LEC-InP.

Hydrothermal Wave in a Shallow Liquid Layer

The oscillatory thermocapillary convection and hydrothermal wave in a shallow liquid layer, where a temperature difference is applied between two parallel sidewalls, have been numerically investigated in a two-dimensional model. The oscillatory thermocapillary convection and hydrothermal wave appear if the Marangoni number is larger than a critical value. The critical phase speed and critical wave number of the hydrothermal wave agree with the ones given analytically by Smith and Davis in the microgravity environment, and it travels in the direction opposed to the surface flow. Another wave traveled downstream in addition to the hydrothermal wave traveled upstream was observed in the case of earth gravity condition.

The Hydrothermal Wave Of Large-Prandtl-Number Fluid In A Shallow Cavity

The hydrothermal wave was investigated numerically for large-Prandtl-number fluid (Pr = 105.6) in a shallow cavity with different heated sidewalls. The traveling wave appears and propagates in the direction opposite to the surface flow (upstream) in the case of zero gravity when the applied temperature difference grows and over the critical value. The phase relationships of the disturbed velocity, temperature and pressure demonstrate that the traveling wave is driven by the disturbed temperature, which is named hydrothermal wave. The hydrothermal wave is so weak that the oscillatory flow field and temperature distribution can hardly be observed in the liquid layer. The exciting mechanism of hydrothermal wave is analyzed and discussed in the present paper.

A Multimoment Finite-Volume Shallow-Water Model On The Yin-Yang Overset Spherical Grid

A numerical model for shallow-water equations has been built and tested on the Yin-Yang overset spherical grid. A high-order multimoment finite-volume method is used for the spatial discretization in which two kinds of so-called moments of the physical field [i.e., the volume integrated average ( VIA) and the point value (PV)] are treated as the model variables and updated separately in time. In the present model, the PV is computed by the semi-implicit semi-Lagrangian formulation, whereas the VIA is predicted in time via a flux-based finite-volume method and is numerically conserved on each component grid. The concept of including an extra moment (i.e., the volume-integrated value) to enforce the numerical conservativeness provides a general methodology and applies to the existing semi-implicit semi-Lagrangian formulations. Based on both VIA and PV, the high-order interpolation reconstruction can only be done over a single grid cell, which then minimizes the overlapping zone between the Yin and Yang components and effectively reduces the numerical errors introduced in the interpolation required to communicate the data between the two components. The present model completely gets around the singularity and grid convergence in the polar regions of the conventional longitude-latitude grid. Being an issue demanding further investigation, the high-order interpolation across the overlapping region of the Yin-Yang grid in the current model does not rigorously guarantee the numerical conservativeness. Nevertheless, these numerical tests show that the global conservation error in the present model is negligibly small. The model has competitive accuracy and efficiency.

Shallow Water Model On Cubed-Sphere By Multi-Moment Finite Volume Method

A global numerical model for shallow water flows on the cubed-sphere grid is proposed in this paper. The model is constructed by using the constrained interpolation profile/multi-moment finite volume method (CIP/MM FVM). Two kinds of moments, i.e. the point value (PV) and the volume-integrated average (VIA) are defined and independently updated in the present model by different numerical formulations. The Lax-Friedrichs upwind splitting is used to update the PV moment in terms of a derivative Riemann problem, and a finite volume formulation derived by integrating the governing equations over each mesh element is used to predict the VIA moment. The cubed-sphere grid is applied to get around the polar singularity and to obtain uniform grid spacing for a spherical geometry. Highly localized reconstruction in CIP/MM FVM is well suited for the cubed-sphere grid, especially in dealing with the discontinuity in the coordinates between different patches. The mass conservation is completely achieved over the whole globe. The numerical model has been verified by Williamson's standard test set for shallow water equation model on sphere. The results reveal that the present model is competitive to most existing ones. (C) 2008 Elsevier Inc. All rights reserved.

A Cip/Multi-Moment Finite Volume Method For Shallow Water Equations With Source Terms

A novel finite volume method has been presented to solve the shallow water equations. In addition to the volume-integrated average (VIA) for each mesh cell, the surface-integrated average (SIA) is also treated as the model variable and is independently predicted. The numerical reconstruction is conducted based on both the VIA and the SIA. Different approaches are used to update VIA and SIA separately. The SIA is updated by a semi-Lagrangian scheme in terms of the Riemann invariants of the shallow water equations, while the VIA is computed by a flux-based finite volume formulation and is thus exactly conserved. Numerical oscillation can be effectively avoided through the use of a non-oscillatory interpolation function. The numerical formulations for both SIA and VIA moments maintain exactly the balance between the fluxes and the source terms. 1D and 2D numerical formulations are validated with numerical experiments. Copyright (c) 2007 John Wiley & Sons, Ltd.