Electric field ionization from deep trapping levels in a-Selenium

The deep trapping levels in a-selenium have been measured by the electric field stimulated current method. It is found that the enhancement of detrapping from the trapping levels is proportional to EXP ($\text{α/}\text{kTxE}{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$) where $\text{α/}\text{kT}\text{=0.012 (}\text{m/V}\text{)}{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$) and E is electric field. The distribution of trapping time is also obtained.     

The relation between atomic shape and crystal structure illustrated by metallic elements

A new look at the relation between the shape of the atoms and the crystal structure of the elements is made. As a result it was possible to describe the variety of crystal structures (Cu‐, W‐, Mg‐type of structure) of pure metallic elements using a consistent principle. The guiding rule of the principle is the dense arrangement of atoms in the form of a hexagon with a central atom. Different atomic shapes and stacking arrangements lead to different unit cells. The shape of an atom is a more useful visualisation construct than the complicated charge density distribution. The consequences of the proposed model on various aspects of crystallography are discussed. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

The crystal structure of Zr2Se reinvestigated by electron crystallography and X-ray powder diffraction

The metal-rich compound Zr₂Se is of particular interest for electron crystallography, since it was one of the first examples that proved that heavy-atom structures can be solved via quasi-automatic direct methods from selected area electron diffraction intensities [1]. For this reason, Zr₂Se has been chosen as a model to discuss the possibilities and the limits of the quasi-kinematical approach that has been successfully used to determine this and related structures from high-resolution electron microscopy (HREM) images and selected area electron diffraction. In order to quantify the achievable accuracy of the electron crystallography techniques used, the corresponding structures are compared with results from structural analysis with X-ray powder data and with a model received from first-principles calculations. The latter structure was chosen in this study as a reference, since the calculations do not depend on experimental parameters. Analysis of the obtained result from electron diffraction structural analysis (EDSA) shows that the structural model is, on average, only off by 0.08 Å, despite the investigated crystal having an effective thickness of 286 Å. The corresponding result from Rietveld refinement with X-ray powder data agrees to within 0.04 Å with the structure from calculation and within 0.03 Å with the result from an earlier single crystal X-ray study [2].     

Phase structure of boride layers on iron substrates with electroplated cobalt layers

Specimens made of Armco iron were electroplated with cobalt and then boronized with 2.2 vol% BCl₃ in H₂ at 1223 K. The boride layers obtained show the sequence of crystallographic phases which is (Co, Fe)B, FeB, Fe₂B, substrate material.     

Growth and characterization of GaAs layers on polished Ge/Si by selective aspect ratio trapping

Epitaxial GaAs layers have been deposited on polished Ge film grown on exactly (0 0 1) oriented Si substrate by metal-organic chemical vapor deposition (MOCVD) via aspect ratio trapping (ART) method. Double-crystal X-ray diffraction shows that the full-width at half-maximum (FWHM) of the (4 0 0) reflection obtained from 1 μm GaAs is 140 arcsec. Scanning electron microscopy (SEM) of the GaAs layer surface shows that the amount of antiphase domain defects (APD) raised from GaAs/Ge interface using Ge ART on Si is dramatically reduced compared to GaAs layers grown on exact (0 0 1) Ge substrate. Defect reduction and Ge diffusion at vicinal GaAs/Ge interface were investigated via cross-section transmission electron microscopy (X-TEM) and secondary ion mass spectrometry (SIMS). Film morphology and optical properties were evaluated via SEM and room temperature photoluminescence (PL).     

Preparation,structure and thermal properties of CuGa5Se8

The structural parameters, the axial thermal expansion coefficients and the characteristic Debye temperatures for the order vacancy compound CuGa₅Se₈ with the chalcopyrite‐related structure, prepared by the Bridgman technique, were determined at different temperatures between 90 and 650 K by the X‐ray diffraction method. The melting point of this compound was defined from the differential thermal analysis data. The anisotropy of thermal expansion in CuGa₅Se₈ is shown to exist with the coefficients along a ‐axis being larger than those along the c ‐axis throughout the temperature range studied.     

Growth mechanism and structure of adsorbed layers on metals

In many cases surface compounds obtained by adsorption on single crystal faces are formed by nucleation processes. Models of structures for these surface compounds are proposed when there is a well defined coincidence mesh with the substrate, and eventually, when there is no coincidence mesh, for thick epitaxial layers. Examples of structures are given for sulphur and oxygen adsorbed on various metals, and for thick lead layers in epitaxy on gold surfaces.     

Structural and electrical properties of CuIn0.7Ga0.3Se2 epitaxial layers on GaAs substrates

Epitaxial layers of CuIn_0.7Ga_0.3Se₂ could be prepared by flash evaporation onto (111)A-oriented GaAs substrates in the substrate temperature range T_sub = 745 … 870 K. At T_sub = 745 … 820 K the films had the chalcopyrite structure, at T_sub = 820 … 845 K an additional pseudohexagonal phase was found. Indications to the presence of a sphalerite phase were found at high substrate temperatures. Films grown at T_sub ≦ 750 K were always n-type conducting and showed a largely pronounced impurity band conduction effect. At T_sub ≧ 860 K the films were always p-type conducting and two acceptor states with ionization energies of some 10⁻³ eV and of 125 … 140 meV were found.     

Local structure of liquid Rb–Se mixtures near the miscibility gap

In the liquid Rb–Se mixture there exists a liquid–liquid phase separation (miscibility gap) in the Se-rich concentration region. In order to study how the local structure is associated with the occurrence of the miscibility gap, EXAFS and neutron diffraction measurements for liquid Se, Rb₁₀Se₉₀, Rb₁₅Se₈₅ and Rb₂₀Se₈₀ mixtures have been carried out. The results reveal that the interaction between Rb and Se atoms is very weak and the liquid mixtures are composed of short Se chain-molecules of which chain ends are terminated by Rb atoms. We have carried out detailed structural modeling studies using reverse Monte Carlo simulation. It is found that the chain-like or ring-like Se segments are separated by voids. The Rb atoms adsorbed to Se chain ends segregate in the void and the shortened Se chain-molecules link up with each other when one approaches the miscibility gap.     

The defect structure of CdS crystals heavy doped with Cu,Se. and Zn atoms

In this paper the defect structure of CdS crystals doped with Cu, Se and Zn atoms has been investigated. There were used two X-ray methods: the oscillating slit and oscillating film methods. CdS crystals were obtained from the melt under pressure of Se and Zn 0.5, 0.75, 1% wt and Cu 0.25, 0.5, 0.75, 1% wt in relation to CdS crystals. It was proved that high doping damages the structure of CdS crystals and that especially Cu impurity much more disturbs the crystal lattice than Zn one. Se atoms cause rather small deformation of crystal and increase the lattice constant, this being connected with decreasing of energy gap.     

Surface structure of obliquely deposited layers and liquid crystal alignment

The dependence of the orientational action of obliquely deposited SiO_x layers on the deposition angle and the residual gas pressure has been investigated. The variation of the pressure gave rise to a modification of the general dependence of the pretilt angle of liquid crystals on the deposition angle. A model has been developed which explains the action of all deposition parameters on the orientational behaviour of liquid crystals. In a first step, some tendencies of the layer formation are stated. Thereby, in a second step, it is possible to explain the change in the orientation at variations of deposition parameters using the knowledge of these tendencies and experimentally stated informations on the relative change of layer parameters.     

Study of relation between liquid crystal properties and molecular structure of halogenated benzyl alcohol ester derivative

Comparison among the structurally similar analogous or isomeric novel homologous series of presently investigation is discussed with a view to understand the effect and relation between molecular structure in respect of molecular size, geometrical shape, molecular polarity and polarizability etc as emerged from changing molecular rigidity and flexibility which is played by terminal or central bridge to inducing liquid crystal property and the specific degree of mesomorphism of a substance. Novel series of study consists of three phenyl rings, two central bridges ?COO?, ?CH?CH?COO?, ?COO?CH₂?, ?CH?CH?COO?CH₂? with common left n-alkoxy (?O?C_nH_{2n + 1}) left terminal group which vary from homologue to homologue in the same series and varying tail end group –Cl and –Br. Novel members of series were selectively characterized and confirmed by elemental analysis, IR spectra, H¹NMR spectra, mass spectra, POM, textures of smectic or/and nematic phase by miscibility method etc. Totally 66 novel compounds were synthesized and 55 compounds were to be found liquid crystal (LC) in nature with different degree of mesomorphism depending upon changing molecular structure in respect of their tailed flexible end groups or central bridges.     

Glassy state and structure of Sn–Sb–Se chalcogenide alloy

The effect of Sn addition on the glass transition and structure of c-Sb₂₀Se₈₀ chalcogenide alloy have been studied by X-ray diffraction and differential scanning calorimetric studies. The increase in the glass forming region and the glass transition temperature with the addition of Sn is discussed by considering the formation of [SnSe₄] tetrahedra, another type of network former, which inhibits the crystallization. The differential scanning calorimetric studies on Sn_xSb₂₀Se_80−x (8 ⩽ x ⩽ 18) glassy samples reveal a single glass transition temperature for all values of x while a single crystallization peak was obtained only for 10 ⩽ x < 12. The X-ray diffraction studies reveal that the glass crystallizes to Sb₂Se₃ and SnSe₂ phases upon annealing. The glass formation and composition dependence of glass transition temperature in the Sn–Sb–Se chalcogenide alloy could be understood by considering the topological phase transitions and a chemically ordered network model.     

Effect of buffer layers on the dislocation structure of heteroepitaxial systems

Transmission electron microscopy (TEM) as well as X-ray topography (XRT) and X-ray diffractometry have been used for investigation of the structure of the LPE heteroepitaxial system In_0.05Ga_0.95As-In_yGa_1−yAs_1−xP_x-GaAs(111) A. A critical value of the lattice misfit has been shown to exist at the metallurgical boundary ((Δa/a)* ≈ 10⁻³) which results in the change of the film nucleation and growth mechanism as well as the change of misfit dislocations (MDs) generation mechanism. With (Δa/a)₀ > (Δa/a)* the nucleation and growth mechanism is mixed: island growth at the first stages of growth and layer-by-layer growth at large thicknesses. MDs are created in an “island film” developing a non-ordered dislocation network. The density of threading dislocations (N_d) is ∼ 10⁸ cm⁻². With (Δa/a)₀ < (Δa/a)* there is layer-by-layer mechanism of film's nucleation and growth from the very first stages of crystallization. MDs are injected into continuous layer along the inclined slip planes {111}, thus forming a regular three-dimensional grid of MDs. N_d is less than 10⁶ cm⁻² in the case. A model of dislocation structure formation in heterolayers has been proposed. Within the frame of this model the two critical values of phosphorus concentration in the quaternary melt have been quantitatively determined. These are corresponding to the change of MD generation mechanism. The expected values of N_d for (Δa/a)₀ > (Δa/a)* and (Δa/a)₀ < (Δa/a)* have been theoretically determined.     

Electronic band structure in the ternary system AsSeCu

X-ray photoemission spectroscopy (XPS) studies were performed on amorphous As₂Se₃Cu_X (0 ≦ × ≦ 1) to determine the shifts in the binding energy of the valence electrons. The results indicated that the characteristic peaks derived of bonding and antibonding 4s states of Se and As are shifted toward lower binding energy as a result of the addition of Cu to As₂Se₃. At the same time, pronounced increase in intensity and broadening of the first peak associated with the 4p lone pair electrons of Se was noticed. The observed features are in good agreement with changes in electrical, optical and structural characteristics of this system. Data obtained of the Raman scattering of the prepared materials using a molecular optical laser examiner (MOLE) microprobe will be presented and discussed.     

The relation between relaxed enthalpy and volume during physical aging

Several papers have recently presented results of measurements of physical aging by studying the behavior of glassy materials quenched from temperatures above their glass transition temperature T_g. The evolution of the aging process is usually followed by plotting the relaxed enthalpy versus the accompanying decrease in volume. Here, we focus on the slope of such plots, which are found to be similar to the inverse value of the isothermal compressibility close to T_g. An explanation of this empirical result is attempted in the frame of a model that interconnects the defect Gibbs energy with properties of the bulk material.     

Characterization of the structure of porous germanium layers by high-resolution X-ray diffractometry

The surface morphology and the structure of porous germanium layers obtained by chemical etching of n-type single-crystal Ge(111) substrates with their subsequent annealing in hydrogen atmosphere are studied by high-resolution X-ray diffractometry. It is established that upon etching a 1.5 to 2.0-μm-thick porous germanium layer is formed, which contains quasi-ordered microinhomogeneities in the form of elongated pits with characteristic dimensions of 1 μm and an average distance between them of 3–4 μm. The layer bulk has pores with radii ranging within 25–30 nm and nanocrystallites with an average size of 10 nm, with the average porosity being 56%.     

The evolution of bond structure in Ge33As12Se55 films upon thermal annealing

The evolution of bond structure of laser deposited Ge₃₃As₁₂Se₅₅ films under various processing conditions has been investigated by X-ray photoelectron spectroscopy. It was found that a large number of Se-rich structures in the as-grown film may coalesce with As and Ge after annealing at high temperatures. In addition, both Ge and As 3d spectra show the presence of oxides. The oxygen distribution exponentially decays along the normal direction of the films regardless of different processing conditions. The critical thickness of the oxidized layer was extracted for the film annealed at various pressures and temperatures.