A review of measurement of thermophysical properties of silicon melt

Measurements of thermophysical properties of Si melt and supplementary study of X-ray scattering/diffraction by the authors' group were reviewed. The values obtained differed variously from those of literature. Density was 2–3% larger, surface tension 20–30% smaller, viscosity up to 40% larger, electrical conductivity 8% smaller, spectral emissivity more or less in good agreement with literature values, and thermal diffusivity a few percent larger. An anomalous density jump was found near the melting point. Surface tension and viscosity also showed anomaly. A strange time-dependent change of density was observed over 3 h after melting. X-ray analyses suggested a slight change in local atom ordering, but showed no sign of cluster formation. An addition of 0.1 at% gallium caused the density jump to disappear, while that of boron caused no change. An EXAFS study of the former melt indicated a strong interaction between Ga and Si atoms as if molecules of GaSi₃ existed. The implications of the measured properties are a possibility of soft-turbulence in an Si melt in a relatively large crucible, a more complicated manner of intake of oxygen depleted molten Si from the free surface region to underneath the growing crystal, and a relaxation of the melt after melting arising from trapped gas species.     

Dynamic stability analysis of the solidification of binary melts in the presence of a mushy region: changeover of instability

A dynamic linear instability analysis of steady-state binary melt solidification with a mushy region has been carried out. Such an instability differs from a conventional morphological one of a planar solid–liquid interface and is connected with the perturbations in the steady-state solidification velocity. Solidification with a narrow mushy region has been revealed to be absolutely unstable with a monotonous instability of a “hard” type. An increase of the mushy region width leads to an instability changeover from the “hard” type to the oscillatory “soft” one. Both the critical changeover width and the neutral stability curves have been determined as the functions of relevant physical and operating parameters. The steady-state solidification regime with a broad mushy region is absolutely stable. Thus, the mushy region width has been shown to represent a stabilizing factor.     

Effects of permanent densification on the vibrational density of states of vitreous silica

We present a detailed Raman scattering study of the boson peak evolution in vitreous silica as a function of density, from the normal one up to ~ 22% of densification. We show that the distribution of low frequency modes in the boson peak range does not change as a function of density, at least until the densification process starts to modify the glassy network structure from a fourfold coordinated structure into a sixfold coordinated one.     

Crystal structure of a hyperzirconium analogue of eudialyte

X-ray diffraction study of a new representative of the eudialyte family (R = 4.5%, 2347 independent reflections) provided the establishment of a number of characteristic features of its structure associated with a high zirconium content and some other characteristics of the composition. The deficiency of Ca is compensated with Mn, Fe, rare-earth elements, Sr, and Na. The excessive Zr atoms are located in octahedra participating in the formation of a new type of a TiZr₃ cluster.     

Dynamical aspects of Czochralski growth of alkali halides

The variation of the crystal diameter in KC1, KBr, and KI after a sudden small temperature step was measured by means of an optical diameter controller using a laser beam. The diameter reaches exponentially a new equilibrium with time constants of about 30 to 60 min in the given Czochralski apparatus. The time constants increase with the length of the grown crystal. The same exponential behaviour and time constants were obtained from photographs of the solid-liquid interface after a temperature step. The maximum diameter changes for a given temperature step also increase with the length of the grown crystal. The results can be used for a construction of an automatic Czochralski growth apparatus.     

Determination of light-scattering properties of glass surfaces

Glass surfaces were damaged in a defined manner by sandblasting with an adjustable sand blasting machine and subsequent etching with HF. Investigations with the scanning electron microscope (SEM) showed surface defects with an ellipsoidal shape. A quantitative evaluation of the exact profile of these defects was made using mathematical evaluation of stereographic pairs. A new method is described for characterizing surfaces with optical light scattering. In contrast to the usual method of a fixed specimen and a photocell moving on a circle around it, here the specimen revolves on an axis perpendicular to a laser beam and rotates on an axis parallel to it in order to average the scattering over a large area of the surface, thus preventing interferences of the coherent laser beam with surface defects. A theory is described which enables a numerical estimation of roughness parameters using a distribution function of angles of small mirrors to the average surface. In this special case the theory was extended for the special type of defects having an ellipsoidal shape. The results are discussed with respect to creation of surface defects by sandblasting, which are accompanied by subsurface cracks.     

Determination of the density of states of semiconductors from steady-state photoconductivity measurements

We discuss a method to obtain the density of states of photoconductive semiconductors from the light-intensity-dependence of the steady-state photoconductivity. Considering a material having different species of gap states – i.e., with different capture coefficients – we deduce a simple expression relating the defect density to measurable quantities. We show that the relevant capture coefficient appearing into the formula is that of the states that control the recombination. We check the validity of the approximations and the applicability of the final expression from numerical calculations. We demonstrate the usefulness of the method by performing measurements on a standard hydrogenated amorphous silicon sample.     

Estimation of the effect of relative humidity on protein crystallization

The effect of relative humidity in a crystallization box on the rate of establishment of supersaturation conditions during protein crystallization by diffusion of solvent vapors is estimated. A modified crystallization box is designed, which provides the formation of a stable air flow with a specified relative humidity and its measurement directly in the closed space between a drop and a reservoir. The range of relative humidities necessary to obtain the supersaturation conditions in a drop with a protein crystallization solution is determined.     

Numerical modeling of optical properties of a system of two zone plates for focusing hard synchrotron radiation

Results of numerical experiments on focusing of a monochromatic spherical wave by a system of two linear zone plates are reported. Calculations were performed for a photon energy of 12.3985 keV and zone plates with a radius of the first zone of 5 μm, a number of zones of 628, and an aperture of 250 μm. To calculate the Kirchhoff integrals, the double Fourier transform method was used and the fast Fourier transform procedure on a grid with a number of points 65 536 = 2¹⁶ was applied. On the basis of the calculation results, a conclusion was drawn that two zone plates operate as one with a doubled phase shift in zones with a material if the longitudinal distance between them is smaller than 1/3 of the focus depth and the transverse displacement is smaller than 1/3 of the outermost zone width (the focus size). If the distance (displacement) exceeds the focus depth (size), the two zone plates operate independently, similar to refracting lenses with a set of different focusing orders, including the zero order. The nature of the moiré pattern at a transverse displacement of the zone plates is discussed.     

On the 70th anniversary of the Shubnikov Institute of Crystallography of the Russian Academy of Sciences

We are celebrating the 70th anniversary of the Shubnikov Institute of Crystallography. The institute has gone from being a small laboratory of piezoelectric crystals to a large internationally known scientific center. The 1990s was a decade of ruin, both literally and figuratively, for our institute; however, it is hard to believe that was the case when walking through the corridors of the institute today.     

Generation of crystal structures of heteromolecular compounds by the method of discrete modeling of packings

Within the method of discrete modeling of packings, an algorithm of generation of possible crystal structures of heteromolecular compounds containing two or three molecules in the primitive unit cell, one of which has an arbitrary shape and the other (two others) has a shape close to spherical, is proposed. On the basis of this algorithm, a software package for personal computers is developed. This package has been approved for a number of compounds, investigated previously by X-ray diffraction analysis. The results of generation of structures of five compounds—four organic salts (with one or two spherical anions) and one solvate—are represented.     

Study of the model of liquid-phase recrystallization of a polysilicon layer on a sapphire substrate

Crystallography Reports - The dynamics of the transformation of a polysilicon layer on a sapphire substrate by liquid_phase recrystallization with a scanning heat source is considered.     

Refinement of apatite atomic structure of albid tissue of Late Devon conodont

The crystal structure of carbonate-containing apatite from albid tissue of Late Devon conodonts of Polygnathus species (Ozarkodinida order) has been refined by single-crystal X-ray diffraction with the application of electron-probe X-ray microanalysis and Raman spectroscopy data. This apatite-organic composite yields a diffraction pattern characteristic of a single crystal. The atomic structure of biological apatite is close to that of stoichiometric apatite-(CaF). The content of carbonate ions replacing [PO₄]^3? anions is very low (～1 wt %). Channels of the structure contain not only fluorine but also OH ions (in a ratio of 3: 1); the latter are partially replaced with water molecules. The main cationic substitutions occur in the Ca2 position. The specific features of the diffraction pattern of albid tissue indicate that the apatite-organic composite under study is a nanostructured material (a biological mesocrystal).     

Discussion of enthalpy,entropy and free energy of formation of GaN

Presented in this letter is a critical discussion of a recent paper on experimental investigation of the enthalpy, entropy and free energy of formation of gallium nitride (GaN) published in this journal [T.J. Peshek, J.C. Angus, K. Kash, J. Cryst. Growth 311 (2008) 185–189]. It is shown that the experimental technique employed detects neither the equilibrium partial pressure of N₂ corresponding to the equilibrium between Ga and GaN at fixed temperatures nor the equilibrium temperature at constant pressure of N₂. The results of Peshek et al. are discussed in the light of other information on the Gibbs energy of formation available in the literature. Entropy of GaN is derived from heat-capacity measurements. Based on a critical analysis of all thermodynamic information now available, a set of optimized parameters is identified and a table of thermodynamic data for GaN developed from 298.15 to 1400 K.     

Elucidation of factors obstructing quality improvement of MOVPE-grown InN

A systematic study of the crystallographic and electrical/optical properties of MOVPE-grown InN was performed, and the factors that restrict the quality of MOVPE InN were elucidated. The quality of grown InN is highly dependant on the thermal decomposition of NH₃ as a nitrogen source. At a lower growth temperature (~550 °C) a shortage of active nitrogen, due to a lower decomposition rate of NH₃, causes the formation of N vacancies in the grown InN. With increasing growth temperature, a more stoichiometric crystal is grown and the electrical/optical properties improve. At temperatures above 600 °C, however, deterioration occurs at the N-face of In-polar InN near the substrate interface. This deterioration results in the formation of a porous layer during high temperature (~650 °C) growth. There are a few evidences that show that the hydrogen produced by NH₃ decomposition causes this degradation. Thus, improving the quality of MOVPE-grown InN by changing the growth temperature can be difficult. However, a short growth time at a high growth rate and a relatively high temperature is one effective way to solve this dilemma, and one can achieve carrier concentrations as low as 4×10¹⁸ cm⁻³ by growth at 650 °C for 30 min.     

Determination of the Optical Parameters of Uniaxial Crystals with Allowance for the Imperfection of the Spectrophotometric Complex Elements

The influence of the imperfection of a polarizer, an analyzer, and a photoelectron multiplier of a spectrophotometric complex on the intensity of light passed through a plane-parallel plate of a uniaxial transparent or absorbing crystal has been theoretically investigated. Expressions for calculating the birefringence and dichroism at different wavelengths are obtained and analyzed. It is established that the influence of the imperfection of optical elements is stronger for calculating the birefringence value, as compared with the calculation of dichroism.     

Infrared and Raman spectroscopy of particle-beam induced damage of silicon carbide

The damaging of 6H-SiC by ion implantation (Ar⁺, 320 keV) leads to the formation of a light-absorbing surface layer with a thickness of about 0.4 μm and a dielectric function which indicates a disordering of the crystal structure. Raman spectra show the existence of amorphous carbon, silicon and silicon carbide. Ion bombardment with 1.4 MeV He⁺ ions generates a 3 μm thick surface layer with small lattice distortions and light-absorbing centers and a 0.4 μm thick interface layer with a larger refractive index.     

Influence of optical inhomogeneity of langasite crystals on the value of measured electro-optic coefficients

The electro-optic coefficients in langasite crystals have been determined by the polarization-optical method. It is established that the crystal inhomogeneity (regions with anomalous refraction and a gradient of the refractive index) affects the measured value r _ij . The influence of polarization of langasite elements on the electro-optic effect during measurements in a dc electric field is shown. A technique used to measure the electro-optic coefficients in a dc electric field on the basis of measurement of the shift of interference fringes in a weakly diverging laser beam is proposed.     

Three-dimensional simulation of floating-zone crystal growth of oxide crystals

The floating-zone (FZ) method is a popular technique for the growth of high-temperature oxide crystals. However, the growth usually requires skillful control of the zone stability, which is strongly coupled with heat flow, interfaces, and the grown crystal morphology. In this report, we present a three-dimensional self-consistent simulation of floating-zone oxide growth in a mirror furnace by taking these factors into account simultaneously. This model is based on an efficient finite volume method with multigrid acceleration and interface tracking. The steady growth of a YAG crystal in a double-ellipsoid mirror furnace is taken as an example to illustrate the intricate coupling of convection, interfaces, meniscus, and the grown crystal shape.     

On the inhomogeneity of the transition surface layer of the solid core of the earth

Different geophysical data and conclusions of theoretical models, which can give information about the behavior of the solid and liquid cores of the Earth as well as about the existence of a transition layer as a temperature-hysteresis region at a relatively weak first-order phase transition, are compared. It is concluded that liquid inclusions inevitably exist in this region; these inclusions are involved (due to the complex convective processes occurring in the liquid core) in the transport of light materials from some areas of the solid-core surface. The porosity and permeability of the transition layer determine the seismic acoustic inhomogeneities in these areas, which contact the convective flows in the liquid core. In particular, this explains the well-known ??east-west?? effect. Obviously, the model of the crystalline core is not the only possible alternative for a model of a core with a metallic glasslike structure.