On the reproducibility of the orientation distribution function of texture samples from pole figures (V). Discussion of the reprojection relationship

The exact solution of the problem \documentclass{article}\pagestyle{empty}\begin{document}$ \tilde P_{hi} (y) \to \tilde f(g) $\end{document} is discussed from the view of the structure of the reprojection relationship and its numerical realization.     

The Effect of Plastic Deformation on the Real Structure of ZnO Crystals during the Growth Process

The rotational model for ZnO plasticity under the action of concentraion stresses is given on the ground of the real structure analysis (the presence of two scales of the crystal lattice disorientation, a change of the ZnO crystal lattice parameter and the presence of disorientation boundaries of different types). Concentration stresses estimated at the T_gr. \documentclass{article}\pagestyle{empty}\begin{document}$ \tau = G\varepsilon = G\frac{{\Delta a}}{a} \approx 20 $\end{document} MPa exceed the yield point of crystals at T_gr. and may be the cause of rotational plasticity development.     

Crystal size distribution in precipitates

After a short introduction on the principles of nucleation and growth – here especially considering defect crystals – particle size distribution in precipitates is discussed. At first batch crystallization is referred to briefly. The situation in stirred continuous tank crystallizers is investigated in detail. Size distribution is considered in dependence on steady state flow rates of the reacting solutions, residence time of crystals in the tank, resulting in an exponential equation for the number of crystals per unit volume: \documentclass{article}\pagestyle{empty}\begin{document}$ n\left(r \right) = \frac{{\dot n_0 }}{{f\left(s \right)}}e^ - \frac{{vr}}{{V \cdot f\left(s \right)}} $\end{document}. With two and more tanks in series size distribution additionally becomes dependent on the difference of the supersaturations, of the occurrence of nucleation, and of the residence time of crystals in the various tanks. Equations for the size distribution are given for special conditions with two and more tanks in series.     

Magnetically induced rhombohedral distortion in the UxTh1−xSe and UxY1−xSe solid solutions

Solid solutions of U_xTh_1−xSe for x = 1.00 ÷ 0.80 and the solid solutions of U_xY_1−xSe for x = 1.00 ÷ 0.60 were studied by the X-ray diffraction over the temperature range 100 ÷ 200 K. In both systems rhombohedral distortions of the cubic rock-salt crystal structure was observed below the Curie temperatures. The temperature and composition dependences of the rhombohedral angle ω of the rhomboedral cell and the \documentclass{article}\pagestyle{empty}\begin{document}$ \frac{{c' - a'}}{{a'}} $\end{document} ratio were determined.     

Neutron diffraction studies of the orthorhombic lattice distortions and magnetic properties of lanthanum manganite obtained under different technological regimes

Neutron diffraction studies have been carried out on two series of lanthanum manganite compositions obtained under different technological regimes. Based on the plot of angle dependence β° characterizing the degree of monoclinic distortions on “tolerance factor” t Mn³⁺ concentration is determined in the compositions obtained by us. With partial oxygen pressure increasing in annealing atmosphere the crystalline transition (orthorhomb-cube) temperature lowers from 583 ± 10°K to 508 ± 10°K. The correlation between magnetic properties of the compositions obtained and the degree of orthorhombic distortions γ′ = \documentclass{article}\pagestyle{empty}\begin{document}$ {\rm b}\sqrt {{\rm 2/c}} $\end{document}\end{document} is established. Neutron diffraction studies of magnetic properties of LaMnO₃ compositions show that with decrease of orthorhombic distortion degree the decrease of antiferromagnetic component and lowering of the Néel point occur, while the ferromagnetic contribution increases and the Curie point rises.     

Kinetics of Etching of Dislocations in Ferroelectric Ammonium Hydrogen Tartrate Single Crystals

Ferroelectric crystals of Ammonium Hydrogen Tartrate (AHT) have been synthesised using the controlled reaction between NH₄Cl and (CHOHCOOH)₂ by diffusion process in silica gel medium. (010) cleavages of AHT crystals have been etched in 1.0 M and 1.5 M solutions of SrCl₂ solution. The lateral and normal velocities of the growth of pits were measured at different temperatures. The time dependence of the growth of the pit dimensions is found to be linear, whereas the temperature dependence of the growth of pits is found to be exponential, viz. \documentclass{article}\pagestyle{empty}\begin{document}$ \[V = A\,\exp \left({\frac{E}{{kT}}} \right)\] $\end{document}. The dissolution parameters, e.g. the activation energies and the pre-exponential factors for dissolution along the surface and along the dislocation lines have been computed. It is observed that the activation energy (E₁) of dissolution along [001] direction is found to be greater than the activation energy (E_b) along [100] direction and the implications are discussed.     

The precipitation of sparingly-soluble metal ‘oxinates’ induction periods and nucleation rates

The precipitation of barium, strontium, calcium, magnesium, zinc, cadmium, lead, cobalt, nickel and copper 8-quinolinolates (‘oxinates’) was studied in buffer solutions (pHs from 10 to 4.5) at 22 °C: the metal cation and overall ‘oxinate’ with ‘oxine’ concentrations were varied from 0.0005 to 0.010 M (and saturation rations varied from 3 to 3.000). The induction periods, before the main growth surge, were measured at different metal oxinate concentrations (C) and saturation ratios S = (C)/S · P_r^1/3. Nucleation rates were determined from combined measurements of induction periods and final crystal numbers. Nucleation rates varied with saturation ratios according to the relation \documentclass{article}\pagestyle{empty}\begin{document}$ R_n = k_1 \cdot S^8 {\rm\ nuclei cm}^{ - {\rm 3}} {\rm sec}^{ - {\rm 1}} $\end{document} Induction periods decreased with increasing concentration and supersaturation; over the range t > 3.000 to < 1 sec, . Where t and t were factors that depended on nucleation rates and metal salt solubility. t values decreased and t values increased with decreasing solubility. Precipitation occurred through homogeneous nucleation. Low nucleation rates and prolonged induction periods in solutions of medium to high supersaturation were related to slow rate-determining stages in nucleus formation and to complex formation between metal cation and oxinate anion.     

On the occurrence of polytypism in single crystal CdTe thin films

Cadmium telluride thin films have been found to exhibit polytypism. The polytypes are formed when the as grown amorphous CdTe thin films undergo amorphous to crystalline transformation. The transformed single crystal regions correspond to different polytypes. Besides the well known zinc blende type 3 C cubic phase and less often found wurtzite type 2 H phase, four new polytypes (5 H, 6 H, 6 R and 15 R) the only ones known to-date have been found in the present investigation. In addition to the new polytypes, a new structural variant has also been found. This has the same ‘c’ parameter as that of the 2 H phase but has its ‘a’ lattice parameter as ‘a₀ \documentclass{article}\pagestyle{empty}\begin{document}$ a_{\rm o} \sqrt {3} $\end{document}’ (a₀ being the common lattice parameter of the polytypes). A feasible mechanism making the formation of polytypes intelligible has been suggested.     

Periodic Crystallisation of Magnesium Hydroxide in Agar-Agar Gel

Investigations are made to get the experimental conditions for obtaining periodic crystallisation of magnesium hydroxide in agar-agar gel. A detailed study is made on the dependence of the velocity constant (K), the spacing coefficient \documentclass{article}\pagestyle{empty}\begin{document}$ \left( {p = \frac{{x_{n + 1} }}{{x_n }}} \right)'$\end{document} the length of the continuous precipitate and the width of the rings on the concentrations of the inner and outer electrolytes. Using SHINOHARA 's revised coagulation theory, the flocculation value F is calculated. F = Γ + C₃₀, where Γ is the characteristic concentration of the outer electrolyte for which the flocculation starts and C₃₀ is the reduced concentration of the reaction product. The value of the concentration of the outer electrolyte for which the flocculation stops (γ) is calculated. The dependence of F on the concentrations of the reactants is also discussed. Observation of a coneshaped precipitation is also reported.     

Die Molekül- und Kristallstruktur des Morpholyl-pentamethin-merocyanins C9O2NH13

The morpholyl-pentamethine-merocyanine crystallizes within the space group \documentclass{article}\pagestyle{empty}\begin{document}$ P\frac{{{\rm 2}_{\rm 1} }}{{\rm a}} $\end{document} with the lattice constants being a = 13.269 Å, b = 15.232 Å, c = 4.513 Å, β = 94.05°. The bond lengths between the methine-carbon atoms within the pentamethine chain alternate significantly, and thus show a distinct polyenal course. Simultaneously, short C–N (1.339 Å) and short C–O bond lengths (1.224 Å) of the substituents N and O towards the pentamethine chain occur. As with open chained cyanines we also find with this merocyanine a distinct alternation of the valence angles at the methine-carbon atoms. Distances of substituents and alternation of valence angles point to a poylmethinic behaviour of the molecules. The presented merocyanine therefore takes a mean position between a polyenal and a polymethinic behaviour, sharply to be limited by X-ray crystal structure analysis. The experimentally determined geometry of the molecule is compared with quantum mechanical calculations and different structure chemical ideas. On the base of the resonance theory new limiting structures are introduced, the consideration of which enables to give an explanation of the molecule's geometry also in the formalism of mesomerism. The geometry of the chair formed morpholyl ring as well as the packing of the molecules in the crystal bond (intermolecular interaction) are discussed in detail.     

Magnetic properties of the CrSxTe1−x (x = 0−0.2) solid solutions

On the basis of X-ray, magnetic and neutron diffraction measurements the range of solubility in the CrS_xTe_1−x (x = 0−0.2) system has been established and the magnetic phase diagram of the system has been plotted. The decrease of magnetization at low temperature and the additional reflections in the neutron diffraction patterns are associated with the formation of noncollinear magnetic structure which is characterized by the antiferromagnetic component of the magnetic moments. This component has the orthorhombic unit cell with \documentclass{article}\pagestyle{empty}\begin{document}$ a_M = \sqrt {3a_0 } $\end{document}, b_M = a₀, c_M = c₀. The character of the exchange interactions giving rise to this magnetic structure is discussed.     

Electric conductivity and lattice disorder of PbMoO4 crystals

From differential thermal analysis (DTA), thermal etching, perfectly reversable redox treatments and electric conductivity it is concluded that the Pb/Mo ratio of the PbMoO₄ crystals is always 1 and that phase transitions do not occur. Pb³⁺ ions detectable by an absorption band at 435 nm cause a p-conductivity due to the reaction Pb³⁺ ⇌ Pb⁺⁺ + e⁺. At elevated temperatures the p-conductivity increases with increasing oxygen partial pressure of the surrounding atmosphere. The influence of foreign ions on the concentration of ionic and electronic defects in PbMoO₄, CaMoO₄, PbO, and PbTiO₃ can be explained by an anti-Frenkel disorder of the oxygen ion sublattice. For PbMoO₄ crystals the mobility O⁻ ion vacancies and the free formation enthalpy of anti-Frenkel defects are found to be v_v = \documentclass{article}\pagestyle{empty}\begin{document}$ \mathop - \limits_T^{9160} $\end{document} exp (−1.15 eV/kT) cm² K/Vs and g_AF = 3.6kT −2.2 eV, respectively.     

Zum Reflexionsvermögen und Polarisationsverhältnis bei der Röntgenstrahlbeugung am Realkristall (I) Experimentelle Ergebnisse und Vergleich mit der Theorie

Experimental data, a lack of satisfactory theoretical discussion, and some practical problems (application of crystal monochromators, analysis of real structure) as well demand an improvement of the theory of integrated reflectivity, R_i, and of polarization ratio, p, in case of X-ray diffraction in thick real crystals (symmetrical Bragg case). Relatively simple expressions have been obtained concerning the diffraction process in a layer model containing dynamically diffracting mosaic blocks. They fit experimental results, especially the maximum of p at average crystal quality. The theory yields for that maximum p = \documentclass{article}\pagestyle{empty}\begin{document}$ \sqrt {|\cos 2\Theta |} $\end{document} in case of strong primary and secondary extinction. This is, obviously, in better agreement with experimental work using ordinary monochromator crystals than expressions of the type p = cos² 2 Θ or | cos 2 Θ| or averages of them.     

Study of the Concentration Distribution of SiC Vapour in the Crystal Growth Zone

In the present work the gas dynamics in the growth zone of SiC crystals is investigated. It is shown that the propagation of SiC vapour from the growth cavity walls towards the lids is effected by diffusion. On this basis the calculation of the concentration distribution of SiC vapour (n), the equilibrium vapour concentration (n_s), and the supersaturation $ \left({\alpha {\rm = }\frac{{n - n_{\rm s} }}{{n_{\rm s} }} \cdot {\rm 100\%}} \right) $ in the crystal growth zone at different radial and axial temperature gradients is carried out by solving the Laplace equation in cylindrical coordinates for a stationary case corresponding to the conditions of crystal growth. The received results are compared with the available experimental data which gives a possibility for explaining some of the observed peculiarities during SiC crystal growth from the vapour phase by the sublimation method.     

The Structure of Metastable Phases in Al?Zn Alloys (II). HREM Investigations on α-Precipitates

Precipitates of the metastable -phase grown in an Al-(6.8 at.%)Zn alloy are investigated by means of a technique of high resolution electron microscopy, namely by two-beam lattice fringe imaging with tilted illumination. It is demonstrated by this direct method that the -precipitates are in fact semicoherent. The transition of fully coherent Guinier-Preston zones into semicoherent precipitates of the -phase takes place by formation of additional (III)^rh and { III }^rh planes inside the zones.     

Study of sintering processes in copper and nickel by positron annihilation

In the advanced stage of non-isothermal sintering, vacancy clusters are present as prevailing type of defects. Their concentration considerably decreases at further temperature increase, and it can be concluded that thermally activated conversion of multiple vacancies into climbable dislocations takes place. Hence, in conformity with recent experiments, coincidence of intensive material transport ($ \dot \varepsilon $ e-maximum) and decrease of defect concentration (recovery) can be understood.     

Effect of the seed crystallographic orientation on AlN bulk crystal growth by PVT method

The growth of AlN crystals by PVT method was investigated using TaC crucible in the temperature range of 2250‐2350 °C. AlN boules with 30 mm in diameter were successfully grown on the crucible lid by self‐seeded growth. The AlN boules consist of the spontaneously nucleated AlN single crystal grains with the {1010} natural crystalline face. The fast growth rate of more than 1 mm/h was achieved. AlN crystals grown on (11 0)‐, (10 0)‐, and (0001)‐face AlN seeds were investigated. Different experimental phenomena have been observed under particular condition. The crystal grown on (11 0)‐face seed has different natural crystalline face from the seed. For the crystal grown on (10 0) or (0001) seed, the crystal natural crystalline face is same as the crystallographic orientation of the seed. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Surface preparation of AB semiconductors (Cd3As2, Zn3As2, Cd3P2, Zn3P2) under ultra-high vacuum conditions

The UHV surface preparation of AB materials (crystals and thin films) has been monitored with XPS and AES. Clean and stoichiometric surfaces of AB crystals were prepared by means of low energy ion bombardment and subsequent low temperature annealing. Stoichiometric Cd₃As₂ and Zn₃P₂ thin films with very low amounts of C and O were deposited by the evaporation of bulk material in the UHV. The quality of prepared AB crystal and thin film surfaces was sufficient to carry out density of states investigations (UPS, RELS) with success.     

Epitaxial growth of GaN on {1012} oriented sapphire in GaCl/NH3/He and GaCl/NH3/H2 systems

GaN epitaxial layers were grown on {101 2} sapphire substrates in the systems GaCl/NH₃/He and GaCl/NH₃H₂, respectively. The films obtained were investigated by light microscopy, RHEED method and electron-microscopical replica technique. The epitaxial relationship was found to be {101 2} // {112 0}_GaN; 〈112 0〉 // 〈101 0〉_GaN With respect to layer perfection the temperature range of 800 … 1060°C and growth rates ≧ 1 μm/min are the best growth conditions.     

Investigations on electronically conducting oxide systems (XI) electrical conductivity and optical absorption of a -and c-Domain crystals BaVTiO3

BaVTiO₃ single crystals can be grown from a basic BaCl₂ flux. The electric conductivity was measured at a- and c-domain crystals and optical absorption as well as photoconductivity were ascertained at a-domain crystals using plane polarized light in dependence on direction. Properties and their anisotropy are discussed on the basis of their local relations in the ferroelectric host lattice and compared with the properties of BaNbTiTiO₃ single crystals described in the preceding communication.