Ab initio calculations for the neutral and charged O vacancy in sapphire

The energetics, lattice relaxation, and the defect-induced states of st single O vacancy in alpha-Al2O3 are studied by means of supercell total-energy calculations using a first-principles method based on density-functional theory. The supercell model with 120 atoms in a hexagonal lattice is sufficiently large to give realistic results for an isolated single vacancy (square). Self-consistent calculations are performed for each assumed configuration of lattice relaxation involving the nearest-neighbor Al atoms and the next-nearest-neighbor O atoms of the vacancy site. Total-energy data thus accumulated are used to construct an energy hypersurface. A theoretical zero-temperature vacancy formation energy of 5.83 eV is obtained. Our results show a large relaxation of Al (O) atoms away from the vacancy site by about 16% (8%) of the original Al-square (O-square) distances. The relaxation of the neighboring Al atoms has a much weaker energy dependence than the O atoms. The O vacancy introduces a deep and doubly occupied defect level, or an F center in the gap, and three unoccupied defect levels near the conduction band edge, the positions of the latter are sensitive to the degree of relaxation. The defect state wave functions are found to be not so localized, but extend up to the boundary of the supercell. Defect-induced levels are also found in the valence-band region below the O 2s and the O 2p bands. Also investigated is the case of a singly occupied defect level (an F+ center). This is done by reducing both the total number of electrons in the supercell and the background positive charge by one electron in the self-consistent electronic structure calculations. The optical transitions between the occupied and excited states of the: F and F+ centers are also investigated and found to be anisotropic in agreement with optical data.

Some properties of gallium nitride films grown on (0001) oriented sapphire substrates by gas source molecular beam epitaxy

The Raman and photoreflectivity spectra of gallium nitride (GaN) films grown on (0001) oriented sapphire substrates by gas source molecular beam epitaxy (GSMBE) have been investigated. The Raman spectra showed the presence of the E-2(high) mode and a shift in the wavenumber of this mode with respect to the GaN epilayer thickness. The Raman scattering results suggest the presence of stress due to lattice and thermal expansion misfit in the films, and also indicate that the buffer layer play an important role in the deposition of high quality GaN layers. The residual stress changes from tensile to compressive as the epilayer thickness increases. Samples subjected to anneal cycles showed an increase in the mobility due probably to stress relaxation as suggested by an observed shift in the E-2(high) mode in the Raman spectra after annealing.

COMPARISON OF PROPERTIES OF SOLID-PHASE EPITAXIAL SILICON-ON-SAPPHIRE FILMS RECRYSTALLIZED BY RAPID THERMAL ANNEALING AND FURNACE ANNEALING

Chemically vapour deposited silicon on sapphire (SOS) films 0.25 mu m thick were implanted with Si-28(+) and recrystallized in solid phase by furnace annealing (FA) and IR rapid thermal annealing (RTA) in our laboratory. An improvement in crystalline quality can be obtained using both annealing procedures. After FA, it is hard to retain the intrinsic high resistivity value(10(4)-10(5) Ohm cm) observed in as-grown SOS films, so the improvement process cannot be put to practical use effectively. However, it is demonstrated that by properly adjusting the implantation and RTA conditions, significant improvements in both film quality and film autodoping can be accomplished. This work describes a modified double solid phase epitaxy process in which the intrinsic high resistivities of the as grown SOS films are retained. The mechanism of suppression of Al autodoping is discussed.

Dislocation Reduction in GaN on Sapphire by Epitaxial Lateral Overgrowth

High quality GaN is grown on GaN substrate with stripe pattern by metalorganic chemical vapor deposition by means of epitaxial lateral overgrowth. AFM,wet chemical etching, and TEM experiments show that with a two-step ELOG procedure, the propagation of defects under the mask is blocked, and the coherently grown GaN above the window also experiences a drastic reduction in defect density. In addition, a grain boundary is formed at the coalescence boundary of neighboring growth fronts. The extremely low density of threading dislocations within wing regions makes ELOG GaN a potential template for the fabrication of nitride-based lasers with improved performance.

X-Band GaN Power HEMTs with Power Density of 2.23W/mm Grown on Sapphire by MOCVD

The growth,fabrication,and characterization of 0.2μm gate-length AlGaN/GaN HEMTs,with a high mobility GaN thin layer as a channel,grown on (0001) sapphire substrates by MOCVD,are described.The unintentionally doped 2.5μm thick GaN epilayers grown with the same conditions as the GaN channel have a room temperature electron mobility of 741cm2/(V·s) at an electron concentration of 1.52×1016 cm-3.The resistivity of the thick GaN buffer layer is greater than 108Ω·cm at room temperature.The 50mm HEMT wafers grown on sapphire substrates show an average sheet resistance of 440.9Ω/□ with uniformity better than 96%.Devices of 0.2μm×40μm gate periphery exhibit a maximum extrinsic transconductance of 250mS/mm and a current gain cutoff frequency of77GHz.The AlGaN/GaN HEMTs with 0.8mm gate width display a total output power of 1.78W (2.23W/mm) and a linear gain of 13.3dB at 8GHz.The power devices also show a saturated current density as high as 1.07A/mm at a gate bias of 0.5V.

Raman Investigatins of 3C-SiC Films Grown on Si (100) and Sapphire (0001) by LPCVD

The Raman measurements have been performed with the back-scattering geometry on the SiC films grown on Si(100) and sapphire (0001) by LPCVD. Typical TO and LO phonon peaks of 3C-SiC were observed for all the samples grown on Si and apphire substrates, indicating the epilayers are 3C-SiC polytype. Using a free-standing 3C-SiC film removed from Si(100) as a free-stress sample, the stresses of 3C-SiC on Si(100) and sapphire (0001) were estimated according to the shift of TO and LO phonons.

In situ doping of 3C-SiC grown on (0001) sapphire substrates by LPCVD

The heteroepitaxial growth of n-type and p-type 3C-SiC on (0001) sapphire substrates has been performed with a supply of SiH4+C2H4+H-2 system by introducing ammonia (NH3) and diborane (B2H6) precursors, respectively, into gas mixtures. Intentionally incorporated nitrogen impurity levels were affected by changing the Si/C ratio within the growth reactor. As an acceptor, boron can be added uniformly into the growing 3C-SiC epilayers. Nitrogen-doped 3C-SiC epilayers were n-type conduction, and boron-doped epilayers were p-type and probably heavily compensated.

Influences of initial nitridation process on the optical and structural characterization of GaN layer grown on sapphire (0001) by metalorganic chemical vapor deposition

In this paper. we investigate the influences of the initial nitridation of sapphire substrates on the optical and structural characterizations in GaN films. Two GaN samples with and without 3 min nitridation process were investigated by photoluminescence (PL) spectroscopy in the temperature range of 12-300 K and double-crystal X-ray diffraction (XRD). In the 12 K PL spectra of the GaN sample without nitridation, four dominant peaks at 3.476, 3.409 3.362 and 3.308 eV were observed, which were assigned to donor bound exciton, excitons bound to stacking faults and extended structural defects. In the sample with nitridation, three peaks at 3.453, 3.365. and 3.308 eV were observed at 12 K, no peak related to stacking faults. XRD results at different reflections showed that there are more stacking faults in the samples without nitridation.

Improvement of thin silicon on sapphire (SOS) film materials and device performances by solid phase epitaxy

The increased emphasis on sub-micron CMOS/SOS devices has placed a demand for high quality thin silicon on sapphire (SOS) films with thickness of the order 100-200 nm. It is demonstrated that the crystalline quality of as-grown thin SOS films by the CVD method can be greatly improved by solid phase epitaxy (SPE) process: implantation of self-silicon ions and subsequent thermal annealing. Subsequent regrowth of this amorphous layer leads to a greater improvement in silicon layer crystallinity and channel carrier mobility, evidenced, respectively, by double crystal X-ray diffraction and electrical measurements. We concluded that the thin SPE SOS films are suitable for application to high-performance CMOS circuitry. (C) 2000 Elsevier Science S.A. All rights reserved.

Electrical properties of GaN deposited on nitridated sapphire by molecular beam epitaxy using NH3 cracked on the growing surface

We have found that GaN epilayers grown by NH3-source molecular beam epitaxy (MBE) contain hydrogen. Dependent on the hydrogen concentration, GaN on (0001) sapphire can be either under biaxially compressive strain or under biaxially tensile strain. Furthermore, we notice that background electrons in GaN increase with hydrogen incorporation. X-ray photoelectron spectroscopy (XPS) measurements of the N1s region indicate that hydrogen is bound to nitrogen. So, the microdefect Ga...H-N is an effective nitrogen vacancy in GaN, and it may be a donor partly answering for the background electrons. (C) 1999 Elsevier Science B.V. All rights reserved.

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.

Formation of Au nanoparticles in sapphire by using Ar ion implantation and thermal annealing

In this paper, we present results of the synthesis of gold nanoclusters in sapphire, using Ar ion implantation and annealing in air. Unlike the conventional method of Au implantation followed by thermal annealing, Au was deposited on the surface of m- and a- cut sapphire single crystal samples including those pre-implanted with Ar ions. Au atoms were brought into the substrate by subsequent implantation of Ar ions to form Au nanoparticles. Samples were finally annealed stepwisely in air at temperatures ranging from 400 to 800 C and then studied using UV–vis absorption spectrometry, transmission electron microscopy and Rutherford backscattered spectrometry. Evidence of the formation Au nanoparticles...