Multiplicity factor and diffraction geometry factor for single crystal X-ray diffraction analysis and measurement of phase content in cubic GaN/GaAs(001) epilayers

On the basis of integrated intensity of rocking curves, the multiplicity factor and the diffraction geometry factor for single crystal X-ray diffraction (XRD) analysis were proposed and a general formula for calculating the content of mixed phases was obtained. With a multifunction four-circle X-ray double-crystal diffractometer, pole figures of cubic (002), {111} and hexagonal {1010} and reciprocal space mapping were measured to investigate the distributive character of mixed phases and to obtain their multiplicity factors and diffraction geometry factors. The contents of cubic twins and hexagonal inclusions were calculated by the integrated intensities of rocking curves of cubic (002), cubic twin {111}, hexagonal {1010} and {1011}.

Structural characterization of cubic GaN grown on GaAs(001) substrates

Structural characteristics of cubic GaN epilayers grown on GaAs(001) were studied using X-ray double-crystal diffraction technique. The structure factors of cubic GaN(002) and (004) components are approximately identical. However, the integrated intensities of the rocking curve for cubic (002) components are over five times as those of (004) components. The discrepancy has been interpreted in detail considering other factors. In the conventional double crystal rocking curve, the peak broadening includes such information caused by the orientation distribution (mosaicity) and the distribution of lattice spacing. These two kinds of distributions can be distinguished by the triple-axis diffraction in which an analyser crystal is placed in front of the detector. Moreover, the peak broadening was analysed by reciprocal lattice construction and Eward sphere. By using triple-axis diffraction of cubic (002) and (113) components, domain size and dislocation density were estimated. The fully relaxed lattice parameter of cubic GaN was determined to be about 0.451 +/- 0.001nm.

Optical spectra of CdSe nanocrystals under hydrostatic pressure

Optical spectra of CdSe nanocrystals are measured at room temperature under pressure ranging from 0 to 5.2 GPa. The exciton energies shift linearly with pressure below 5.2 GPa. The pressure coefficient is 27 meV GPa(-1) for small CdSe nanocrystals with the radius of 2.4 nm. With the approximation of a rigid-atomic pseudopotential, the pressure coefficients of the energy band are calculated. By using the hole effective-mass Hamiltonian for the semiconductors with wurtzite structure under various pressures, we study the exciton states and optical spectra for CdSe nanocrystals under hydrostatic pressure in detail. The intrinsic asymmetry of the hexagonal lattice structure and the effect of spin-orbit coupling on the hole states are investigated. The Coulomb interaction of the exciton states is also taken into account. It is found that the theoretical results are in good agreement with the experimental values.

Design, simulation and testing of large area silicon drift detectors and detector array for X-ray spectroscopy

Large area (25 mm(2)) silicon drift detectors and detector arrays (5x5) have been designed, simulated, and fabricated for X-ray spectroscopy. On the anode side, the hexagonal drift detector was designed with self-biasing spiral cathode rings (p(+)) of fixed resistance between rings and with a grounded guard anode to separate surface current from the anode current. Two designs have been used for the P-side: symmetric self-biasing spiral cathode rings (p(+)) and a uniform backside p(+) implant. Only 3 to 5 electrodes are needed to bias the detector plus an anode for signal collection. With graded electrical potential, a sub-nanoamper anode current, and a very small anode capacitance, an initial FWHM of 1.3 keV, without optimization of all parameters, has been obtained for 5.9 keV Fe-55 X-ray at RT using a uniform backside detector.

Correlated structural and optical investigation of terbium-doped zinc oxide nanocrystals

Tb3+-doped zinc oxide nanocrystals with a hexagonal wurzite structure were successfully prepared by reaction between Zn-O-Tb precursors and LiOH in ethanol. Good incorporation of Tb3+ in ZnO nanocrystals is proved by XRD, FTIR, PL and PLE measurements. The presence of acetate complexes to zinc atoms on particle surfaces is disclosed by FTIR results. Emission from both Tb3+ ions and surface states in ZnO matrix, as well as their correlation were observed. The luminescence mechanism is discussed. (C) 2000 Elsevier Science B.V. All rights reserved.

Exciton states and optical spectra in CdSe nanocrystallite quantum dots

By using the hole effective-mass Hamiltonian for semiconductors with the wurtzite structure, we have studied the exciton states and optical spectra in CdSe nanocrystallite quantum dots. The intrinsic asymmetry of the hexagonal lattice structure and the effect of spin-orbital coupling (SOC) on the hole states are investigated. It is found that the strong SOC limit is a good approximation for hole states. The selection rules and oscillator strengths for optical transitions between the conduction- and valence-band states are obtained. The Coulomb interaction of exciton states is also taken into account. In order to identify the exciton states, we use the approximation of eliminating the coupling of Gamma(6)(X, Y) with Gamma(1)(Z) states. The results are found to account for most of the important features of the experimental photoluminescence excitation spectra of Norris ct nl. However, if the interaction between Gamma(6)(X, Y) and Gamma(1)(Z) states is ignored, the optically passive P-x state cannot become the ground hole state for small CdSe quantum dots of radius less than 30 Angstrom. It is suggested that the intrinsic asymmetry of the hexagonal lattice structure and the coupling of Gamma(6)(X,Y) with Gamma(1)(Z) states are important for understanding the "dark exciton" effect.

Energy band and acceptor binding energy of GaN and AlxGa1-xN

The hole effective-mass Hamiltonian for the semiconductors of wurtzite structure is established, and the effective-mass parameters of GaN and AlxGa1-xN are given. Besides the asymmetry in the z and x, y directions, the linear term of the momentum operator in the Hamiltonian is essential in determining the valence band structure, which is different from that of the zinc-blende structure. The binding energies of acceptor states are calculated by solving strictly the effective-mass equations. The binding energies of donor and acceptor for wurtzite GaN are 20 and 131, 97 meV, respectively, which are inconsistent with the recent experimental results. It is proposed that there are two kinds of acceptors in wurtzite GaN. One kind is the general acceptor such as C, substituting N, which satisfies the effective-mass theory, and the other includes Mg, Zn, Cd etc., the binding energy of which deviates from that given by the effective-mass theory. Experimentally, wurtzite GaN was grown by the MBE method, and the PL spectra were measured. Three main peaks are assigned to the DA transitions from the two kinds of acceptor. Some of the transitions were identified as coming from the cubic phase of GaN, which appears randomly within the predominantly hexagonal material. The binding energy of acceptor in ALN is about 239, 158 meV, that in AlxGa1-xN alloys (x approximate to 0.2) is 147, 111 meV, close to that in GaN. (C) 2000 Published by Elsevier Science S.A. All rights reserved.

Initial stages of GaN/GaAs (100) growth by metalorganic chemical vapor deposition

We have investigated the growth of GaN buffers by metalorganic chemical vapor deposition (MOCVD) on GaAs (100) substrates. Atomic force microscope (AFM) and reflection high-energy electron diffraction (RHEED) were employed to study the dependence of the nucleation on the growth temperature, growth rate, annealing effect, and growth time. A two-step growth sequence must be used to optimize and control the nucleation and the subsequent growth independently. The size and distribution of islands and the thickness of buffer layers have a crucial role on the quality of GaN layers. Based on the experimental results, a model was given to interpret the formation of hexagonal-phase GaN in the cubic-phase GaN layers. Using an optimum buffer layer, the strong near-band emission of cubic GaN with full-width at half maximum (FWHM) value as small as 5.6 nm was observed at room temperature. The background carrier concentration was estimated to be in the range of 10(13) similar to 10(14) cm(-3).

Effect of Si doping on cubic GaN films grown on GaAs(100)

Epitaxial layers of cubic GaN have been grown by metalorganic vapor-phase epitaxy (MOVPE) with Si-doping carrier concentration ranging from 3 x 10(18) to 2.4 x 10(20)/cm(3). Si-doping decreased the yellow emission of GaN. However, the heavily doped n-type material has been found to induce phase transformation. As the Si-doping concentration increases, the hexagonal GaN nanoparticles increase. Judged from the linewidth of X-ray rocking curve, Si-doping increases the density of dislocations and stacking faults. Based on these observations, a model is proposed to interpret the phase transformation induced by the generated microdefects, such as dislocations and precipitates, and induced stacking faults under heavy Si-doping. (C) 1999 Elsevier Science B.V. All rights reserved.

Investigation on quality of cubic GaN/GaAs(100) by double-crystal X-ray diffraction

Cubic GaN was grown on GaAs(100) by low pressure metal organic chemical vapor deposition (MOCVD). X-ray diffraction, scanning electron microscope (SEM) and photoluminescence (PL) spectra were performed to characterize the quality of the GaN film. The PL spectra of cubic GaN thin films being thicker than 1.5 mu m were reported. Triple-crystal diffraction to analyze orientation distributions and strain of the thin films was also demonstrated.

Scanning electron microscope studies of cubic AlxGa1-xN films grown on GaAs(100) by metal organic vapor phase epitaxy (MOVPE)

Cubic AlGaN films were grown on GaAs(100) substrates by MOVPE. Scanning electron microscope and photoluminescence were used to analyze the surface morphology and the crystalline quality of the epitaxial layers. We found that both NH, and TEGa fluxes have a strong effect on the surface morphology of AlGaN films. A model for the lateral growth mechanism is presented to qualitatively explain this effect. The content of hexagonal AlGaN in the cubic AlGaN films was also related to the NH3 flux. (C) 1999 Elsevier Science B.V. All rights reserved.

Stability investigation of cubic GaN films grown by metalorganic chemical vapor deposition on GaAs (001)

The thermal stability of cubic-phase GaN (c-GaN) films are investigated by photoluminescence (PL) and Raman scattering spectroscopy. C-GaN films are grown on GaAs (001) substrates by metalorganic chemical vapor deposition. PL measurements show that the near-band-edge emissions in the as-grown GaN layers and thermally treated samples are mainly from c-GaN. No degradation of the optical qualities is observed after thermal annealing. Raman scattering spectroscopy shows that the intensity of the E-2 peak from hexagonal GaN grains increases with annealing temperature for the samples with poor crystal quality, while thermal annealing up to 1000 degrees C has no obvious effect on the samples with high crystal quality. (C) 1999 American Institute of Physics. [S0003-6951(99)04719-1].

Energy bands and acceptor binding energies of GaN

The energy bands of zinc-blende and wurtzite GaN are calculated with the empirical pseudopotential method, and the pseudopotential parameters for Ga and N atoms are-given. The calculated energy bands are in agreement with those obtained by the ab initio method. The effective-mass theory for the semiconductors of wurtzite structure is established, and the effective-mass parameters of GaN for both structures are given The binding energies of acceptor states are calculated by solving strictly the effective-mass equations. The binding energies of donor and acceptor are 24 and 142 meV for the zinc-blende structure, 20 and 131, and 97 meV for the wurtzite structure, respectively, which are consistent with recent experimental results. It is proposed that there are two kinds of acceptor in wurtzite GaN. One kind is the general acceptor such as C, which substitutes N, which satisfies the effective-mass theory. The other kind of acceptor includes Mg, Zn, Cd, etc., the binding energy of these accepters is deviated from that given by the effective mass theory. In this report, wurtzite GaN is grown by the molecular-beam epitaxy method, and the photoluminescence spectra were measured. Three main peaks are assigned to the donor-acceptor transitions from two kinds of accepters. Some of the transitions were identified as coming from the cubic phase of GaN, which appears randomly within the predominantly hexagonal material. [S0163-1829(99)15915-0].

Growth and characterization of GaN on LiGaO2

The nearly lattice-matched (0 0 1)LiGaO2 substrates have been used for the growth of GaN by LP-MOVPE, GaN epilayers have been grown on both domains at very low input partial pressure of hydrogen and relatively low growth temperature. The differences in the growth rate, crystal and optical qualities of hexagonal GaN epilayers grown on LiGaO2 substrate with two polar domains are investigated. LiGaO2 single crystal with a single domain structure and an adequate surface plane is a promising substrate for the growth of high quality of hexagonal GaN thin films. (C) 1998 Published by Elsevier Science B.V. All rights reserved.

Microstructure evolution of GaN buffer layer on MgAl2O4 substrate

Microstructure of GaN buffer layer grown on (111)MgAl2O4 substrate by metalorganic vapor phase epitaxy (MOVPE) was studied by transmission electron microscopy (TEM). It has been observed that the early deposition of GaN buffer layer on the substrate at a relatively low temperature formed a continual island-sublayer (5 nm thick) with hexagonal crystallographic structure, and the subsequent GaN buffer deposition led to crystal columns which are composed of nano-crystal slices with mixed cubic and hexagonal phases. After high-temperature annealing, the crystallinity of nano-crystal slices and island-sublayer in the buffer layer have been improved. The formation of threading dislocations in the GaN him is attributed not only to the lattice mismatch of GaN/MgAl2O4 interface, but also to the stacking mismatches at the crystal column boundaries. (C) 1998 Published by Elsevier Science B.V. All rights reserved.