Issues in ZnO homoepitaxy

Zinc oxide (ZnO) bulk single crystals, which are of high purity and transparency with a large size of 2 in., are successfully grown by the hydrothermal method. The sliced substrates are chemomechanically polished to form an epi-ready surface. The impurities existing on the as-polished substrate surface are characterized before and after annealing by SIMS (secondary-ion mass spectroscopy), and a damaged surface layer due to chemomechanical polishing is evaluated by an optical method. We attempt to remove the layer damaged due to chemomechanical polishing with two approaches, chemical etching and thermal annealing in N₂, O₂ or high vacuum. The improvement of the surface morphology and crystallinity is evaluated by means of high resolution X-ray diffraction (XRD), photoluminescence (PL) and atomic force microscopy (AFM). In the PL measurements, the relative intensity of the first-order longitudinal optical phonon replica of the free exciton (FX-1LO) is compared against varying etching depth. The relative intensity becomes weak with increasing etch depth and finally saturates at the etch depth of 5 μm. After the annealing process, we grow ZnO thin films on these ZnO(0001) substrates by plasma-assisted molecular beam epitaxy. Films grown directly on the substrate show a 3D growth mode in the initial stage of growth with various surface treatments. To overcome this problem, we employ a low temperature grown ZnO buffer layer (LT-ZnO), and a two-dimensionally grown high quality ZnO film is attained.     

Ripple rotation in multilayer homoepitaxy

We have investigated the homoepitaxial growth of Ag(110) in the multilayer regime. After deposition of 30 monolayers of Ag at a temperature of 210 K a ripplelike surface instability is produced and the ridges of the ripples, as well as the majority steps, are found to be parallel to <11;0> which is the thermodynamically favored orientation. As the deposition temperature is decreased to 130 K, an unexpected 90 degrees switch of the ripple orientation is observed. The ridges of the ripples and the steps are in this case parallel to <100>. In the intermediate temperature range a checkerboard of rectangular mounds results. We interpret our results in terms of the peculiar hierarchy of interlayer and intralayer diffusion barriers present on the anisotropic Ag(110) surface.     

Phase transition in dense low-temperature molecular gases

This work is devoted to an analysis of the thermodynamic and transport properties of high-density low-temperature gases and plasmas. The results of two independent theoretical methods are discussed and compared: path integral Monte Carlo data and results from a new chemical model which takes into account free charged particles, atoms, molecules and molecular ions. The two approaches show good agreement for the equation of state of hydrogen up to the multimegabar range. At low temperature, both show indications of a first-order phase transition. Furthermore, based on the chemical model the electrical conductivity of dense hydrogen and deuterium and the deuterium shock hugoniot are computed.     

Insulator-to-metal transition in sulfur-doped silicon

We observe an insulator-to-metal transition in crystalline silicon doped with sulfur to nonequilibrium concentrations using ion implantation followed by pulsed-laser melting and rapid resolidification. This insulator-to-metal transition is due to a dopant known to produce only deep levels at equilibrium concentrations. Temperature-dependent conductivity and Hall effect measurements for temperatures T>1.7 K both indicate that a transition from insulating to metallic conduction occurs at a sulfur concentration between 1.8 and 4.3×10(20) cm(-3). Conduction in insulating samples is consistent with variable-range hopping with a Coulomb gap. The capacity for deep states to effect metallic conduction by delocalization is the only known route to bulk intermediate band photovoltaics in silicon.     

Effects of pulsed irradiation by low-energy ions during homoepitaxy of silicon from a molecular beam

The change in the morphology of a Si(111) surface under pulsed irradiation by 145-eV Kr⁺ ions with a pulse duration of 0.5 s during epitaxy of silicon from a molecular beam is studied experimentally by RHEED. It is found that pulsed irradiation by low-energy ions intensifies the specular reflection. This corresponds to a decrease in the roughness of the growing surface. It is shown that the observed effect depends strongly on the degree of filling of the surface atomic layer, the substrate temperature, and the ion current density. Pis’ma Zh. éksp. Teor. Fiz. 64, No. 10, 689–694 (25 November 1996)     

Metal-to-semimetal transition in supercooled liquid silicon

Computer simulations, using the Stillinger-Weber potential, have previously been employed to demonstrate a liquid-liquid transition in supercooled silicon near 1060 K. From calculations of electronic structure using an empirical psuedopotential, we show that silicon undergoes an associated metal to semimetal transition with a resistivity jump of roughly 1 order of magnitude. We show that the electronic states near the Fermi energy become localized in the low temperature phase, and that changes in electronic structure between the two phases arise from a change in atomic structure, and not from a change in density.     

Metal-insulator transition in perovskite oxides: A low-temperature perspective

A review is presented of recent experimental results of low temperature studies of composition driven metal-insulator transition in perovskite oxides of the ABO₃ class. The evolution of physical properties like conductivity, tunnelling, density of states and magnetoconductivity has been studied at low temperatures (T < 10 K) because composition is varied so that the sample goes from the metallic state to the critical region through a weakly localized region. The results show an interesting interplay of disorder and correlation effects. Special attention has been paid to the critical region which is marked by very low conductivity and dσ/dT>0. In this region the following important observations emerge. (1) It is possible to have a metallic state [σ(T = 0) = σ ₀ ≠ 0] with σ ₀/σ _Mott ? 1 and dσ/dT > 0. (2) At T < 2 K the conductivity follows a power law σ ～T^ν , where the exponent can be related to the finite frequency response of a zero temperature phase transition. (3) The Coulomb interaction plays a major role and evidence from tunnelling experiments suggests that a gap in the density of states at the Fermi level opens up continuously as the critical region is approached from the metallic side. (4) The magnetoconductivity is relatively smaller in the metallic and the weakly localized region (except the hole-doped LaMnO₃ and related systems) but becomes very large at the critical region.     

Laser induced single-crystal transition in polycrystalline silicon

Transition to single crystal of polycrystalline Si material underlying a Si crystal substrate of 〈100〉 orientation was obtained via laser irradiation. The changes in the structure were analyzed by reflection high energy electron diffraction and by channeling effect technique using 2.0 MeV He Rutherford scattering. The power density required to induce the transition in a 4500 ? thick polycrystalline layer is about 70 MW/cm² (50ns). The corresponding amorphous to single transition has a threshold of about 45 MW/cm².     

Photoluminescence of transition metal complexes in silicon

Results of luminescence studies on silicon doped with the 3d transition metals are reviewed. Spectra are observed after V, Cr, Mn, Fe, and Cu diffusion. We discuss the problems of center identifications, using the example of the CrB-pair luminescence. Level schemes for the optical transitions are discussed and correlated with electrical level positions of TM defects. Luminescent centers can be divided into two classes: CrB,CrGa, and Mn₄ are effective recombination centers with low quantum efficiencies, whereas Fe and Cu associated spectra show characteristics of exciton decay at isoelectronic centers, e.g. show a high quantum efficiency. The phonon structure of the spectra is discussed, and it is shown that the local mode energies of the centers follow a systematic trend.     

Pressure-induced phase transition in silicon nitride material

The equilibrium crystal structures,lattice parameters,elastic constants,and elastic moduli of the polymorphs α-,β-,and γ-Si3N4,have been calculated by first-principles method.β-Si3N4 is ductile in nature and has an ionic bonding.γSi3N4 is found to be a brittle material and has covalent chemical bonds,especially at high pressures.The phase boundary of the β→γ transition is obtained and a positive slope is found.This indicates that at higher temperatures it requires higher pressures to synthesize γ-Si3N4.On the other hand,the α→γ phase boundary can be described as P = 14.37198+ 3.27 × 10?3T-7.83911 × 10?7T2-3.13552 × 10?10T3.The phase transition from α-to γ-Si3N4 occurs at 16.1 GPa and 1700 K.Then,the dependencies of bulk modulus,heat capacity,and thermal expansion on the pressure P are obtained in the ranges of 0 GPa-30 GPa and 0 K-2000 K.Significant features in these properties are observed at high temperatures.It turns out that the thermal expansion of γ-Si3N4 is larger than that of α-Si3N4 over wide pressure and temperature ranges.The evolutions of the heat capacity with temperature for the Si3N4 polymorphs are close to each other,which are important for possible applications of Si3N4.     

Direct measurement of the low-temperature spin-state transition in LaCoO3

LaCoO3 exhibits an anomaly in its magnetic susceptibility around 80 K associated with a thermally excited transition of the Co3+-ion spin. We show that electron energy-loss spectroscopy is sensitive to this Co3+-ion spin-state transition, and that the O K edge prepeak provides a direct measure of the Co3+ spin state in LaCoO3 as a function of temperature. Our experimental results are confirmed by first-principles calculations, and we conclude that the thermally excited spin-state transition occurs from a low to an intermediate spin state, which can be distinguished from the high-spin state.     

New concepts for controlled homoepitaxy

On the basis of a kinetic growth model we discuss new methods to grow atomically flat homoepitaxial layers in a controlled way. The underlying principle of these methods is to change the growth parameters during growth of an atomic layer in such a way that nucleation on top of a growing layer is suppressed, and thus, layer-by-layer growth is achieved. Experimentally, this can be realized by changing the substrate temperature or deposition rate during monolayer growth in a well-defined way. The same can be achieved at constant temperature and deposition rate by simultaneous ion bombardment during the early stages of growth of a monolayer, or by adding suitable surfactants to the system. Model experiments on Ag(111) and on Cu(111) using thermal energy atom scattering and scanning tunneling microscopy demonstrate the success of these methods.     

Model for phase transition and low-temperature phase of tetraselenafulvalene-tetracyanoquinodimethane

The properties of TSeF-TCNQ are contrasted with the properties of its isostructural analogue TTF-TCNQ. Despite the obvious similarities between these two systems, they exhibit a number of remarkable differences. A Ginzburg-Landau model is proposed that appears to explain a number of these differences.     

Simulation of boron diffusion during low-temperature annealing of implanted silicon

Modeling of ion-implanted boron redistribution in silicon crystals during low-temperature annealing with a small thermal budget has been carried out. It was shown that formation of “tails” in the low-concentration region of impurity profiles occurs due to the long-range migration of boron interstitials.     

Surface magnetism during oxygen-aided Fe homoepitaxy

Magnetization-induced optical surface second harmonic generation (SHG) in the longitudinal geometry was used to study magnetism on the p(1 x 1)O/Fe(001) surface during a layer-by-layer Fe growth with surfactant oxygen. Considerable one-monolayer oscillations were observed. Minima of the magnetization-induced contributions to the second order dielectric susceptibility were detected at half-filled monolayers. These contributions were accessed either by measuring a purely magnetic SHG yield, or indirectly from the magnetization dependence of the overall SHG signal, both providing consistent results. The origin of the oscillatory surface magnetism is consistent with the expected oscillating oxygen induced relaxation due to the surface Fe islands.     

Measurement of boron and phosphorus concentration in silicon by low-temperature FTIR spectroscopy

The calibration factors for the determination of boron and phosphorus concentration in single crystal silicon by low temperature Fourier transform infrared spectroscopy are examined, with the aim of comparing the behaviour of float-zone and Czochralski samples. It is shown that common calibration factors, derived from a correlation with four-point probe resistivity measurement, can be applied to both material types. Moreover, no significant difference in carrier mobility is observed between FZ and CZ, as determined by Hall effect measurements, in a wide oxygen range: 2–9×10¹⁷ cm^-3, confirming that the same conversion algorithm to deduce the carrier concentration from the resistivity measurement can be applied. PACS 72.80; 78.30; 81.05