Yu. V. Pisarevsky

Growth of germanium dioxide single crystals with α-quartz structure and investigation of their crystal structure, optical, elastic, piezoelectric, dielectric and mechanical properties

The optimal growing conditions for α-GeO2 single crystals and Si-substituted α-GeO2 crystals have been found. The quality and sizes of the grown crystals of α-GeO2 have allowed studying their morphology, internal constitution and measuring their piezoelectric, dielectric, elastic and other physical properties.

Refinement of the crystal structures of the La3Ta0.5Ga5.5O14 and La3Nb0.5Ga5.5O14 compounds

This paper reports on the results of accurate X-ray structural investigations of single crystals La3Ta0.5Ga5.5O14 (a = 8.2260(1) Å, c = 5.1207(1) Å, R/Rw = 1.09%/1.10%, 3868 unique reflections) and La3Nb0.5Ga5.5O14 (a = 8.2237(1) Å, c = 5.1247(1) Å, R/Rw = 1.02%/1.03%, 3735 unique reflections) (space group P321, Z = 1, sinϑ/λ|max ≈ 1.34 Å−1 for both compounds). Using sets of data with a large number of high-angle reflections makes it possible to reliably compare the crystal structures by applying statistical tests. The structural differences between the La3Ta0.5Ga5.5O14 and La3Nb0.5Ga5.5O14 crystals are weakly pronounced, which correlates with the closeness of their piezoelectric characteristics.

Dynamic variation in the lattice parameter of a crystal under ultrasonic treatment in X-ray diffraction experiments

The X-ray diffraction in the Laue geometry is investigated in germanium and silicon single crystals upon excitation of long-wavelength ultrasonic elastic strain waves traveling along the sample surface. The X-ray diffraction beam is bounded by a slit 0.2 mm in size, which is considerably less than the wavelength of the ultrasonic wave. The use of this slit makes it possible to separate crystal regions with a nearly homogeneous strain. As a consequence, the rocking curves stroboscopically measured in a double-crystal dispersionless scheme at different instants of time almost coincide with those for a perfect crystal with a lattice parameter varying in time. The rocking curves measured in a time-integrated mode turn out to be broadened, but their integrated intensities remain unchanged. Possible applications of the developed method are discussed.

In Situ Study of the State of Lysozyme Molecules at the Very Early Stage of the Crystallization Process by Small-Angle X-ray Scattering

The molecular state of hen egg white lysozyme in solution has been studied by small-angle X-ray scattering (SAXS) combined with molecular simulation. The addition of a precipitant is shown to change the state of the protein molecules in solution. The SAXS data were processed using the constructed models of different oligomers. Under the crystallization conditions, lysozyme is shown to be present in solution as monomers (96.0%), dimers (1.9%), and octamers (2.1%), whereas tetramers and hexamers are not found. The modeled structure of the octamer is not consistent with the commonly accepted unit cell containing eight lysozyme molecules. Meanwhile, the modeled octamers are well-fitted to the crystal structure and can serve as building blocks in the course of crystal growth.

Accurate crystal structure refinement of La3Ta0.25Ga5.25Si0.5O14

An accurate X-ray diffraction study of an La3Ta0.25Ga5.25Si0.5O14 single crystal has been performed using two data sets obtained independently for the same sample in different orientations on a diffractometer with a 2D CCD detector. This structure was refined with an averaged set of these data (a = 8.1936(15) Å c = 5.1114(6) Å, sp. gr. P321, Z = 1, R/wR = 0.75/0.71%, 4030 independent reflections). This analysis was aimed at determining the character of the occupancies of the cation position in the structure. The octahedra at the origin of coordinates turned out to be statistically occupied by gallium and tantalum ions of similar sizes, whereas the tetrahedra on the threefold symmetry axes are occupied by gallium and silicon whose ionic radii differ significantly. The latter circumstance caused the splitting of oxygen positions and made it possible to reliably establish the structural position of statistically located [SiO4] and [GaO4] tetrahedra of different sizes.

Accurate Crystal Structure Refinement of La{sub 3}Ta{sub 0.25}Zr{sub 0.50}Ga{sub 5.25}O{sub 14}

An accurate X-ray diffraction study of a La{sub 3}Ta{sub 0.25}Zr{sub 0.50}Ga{sub 5.25}O{sub 14} single crystal (a = 8.2574(4) A, c = 5.1465(4) A, sp. gr. P321, Z = 1, R/R{sub w} = 0.62/0.57% for 4144 unique reflections and 91 parameters) has been performed with a simultaneous neutron diffraction analysis. Tantalum, zirconium, and gallium atoms are found to occupy the mixed octahedral position (symmetry 32). Gallium atoms and a few zirconium atoms are in the position on axis 2 in the tetrahedron. The tetrahedral position on axis 3 is completely occupied by gallium atoms, while the large polyhedron on axis 2 is occupied by lanthanum atoms. The high resolution and averaging of the results obtained in two independent X-ray experiments with the same sample provided accu- rate structural data, in particular, on the anharmonicity of thermal atomic vibrations (atomic displacements). The X-ray and neutron diffraction data on the atomic displacements are compared.An accurate X-ray diffraction study of a La3Ta0.25Zr0.50Ga5.25O14 single crystal (a = 8.2574(4) Å, c = 5.1465(4) Å, sp. gr. P321, Z = 1, R/Rw = 0.62/0.57% for 4144 unique reflections and 91 parameters) has been performed with a simultaneous neutron diffraction analysis. Tantalum, zirconium, and gallium atoms are found to occupy the mixed octahedral position (symmetry 32). Gallium atoms and a few zirconium atoms are in the position on axis 2 in the tetrahedron. The tetrahedral position on axis 3 is completely occupied by gallium atoms, while the large polyhedron on axis 2 is occupied by lanthanum atoms. The high resolution and averaging of the results obtained in two independent X-ray experiments with the same sample provided accu- rate structural data, in particular, on the anharmonicity of thermal atomic vibrations (atomic displacements). The X-ray and neutron diffraction data on the atomic displacements are compared.

Accurate Crystal Structure Refinement of La3Ta0.25Zr0.50Ga5.25O14

An accurate X-ray diffraction study of a La{sub 3}Ta{sub 0.25}Zr{sub 0.50}Ga{sub 5.25}O{sub 14} single crystal (a = 8.2574(4) A, c = 5.1465(4) A, sp. gr. P321, Z = 1, R/R{sub w} = 0.62/0.57% for 4144 unique reflections and 91 parameters) has been performed with a simultaneous neutron diffraction analysis. Tantalum, zirconium, and gallium atoms are found to occupy the mixed octahedral position (symmetry 32). Gallium atoms and a few zirconium atoms are in the position on axis 2 in the tetrahedron. The tetrahedral position on axis 3 is completely occupied by gallium atoms, while the large polyhedron on axis 2 is occupied by lanthanum atoms. The high resolution and averaging of the results obtained in two independent X-ray experiments with the same sample provided accu- rate structural data, in particular, on the anharmonicity of thermal atomic vibrations (atomic displacements). The X-ray and neutron diffraction data on the atomic displacements are compared.An accurate X-ray diffraction study of a La3Ta0.25Zr0.50Ga5.25O14 single crystal (a = 8.2574(4) Å, c = 5.1465(4) Å, sp. gr. P321, Z = 1, R/Rw = 0.62/0.57% for 4144 unique reflections and 91 parameters) has been performed with a simultaneous neutron diffraction analysis. Tantalum, zirconium, and gallium atoms are found to occupy the mixed octahedral position (symmetry 32). Gallium atoms and a few zirconium atoms are in the position on axis 2 in the tetrahedron. The tetrahedral position on axis 3 is completely occupied by gallium atoms, while the large polyhedron on axis 2 is occupied by lanthanum atoms. The high resolution and averaging of the results obtained in two independent X-ray experiments with the same sample provided accu- rate structural data, in particular, on the anharmonicity of thermal atomic vibrations (atomic displacements). The X-ray and neutron diffraction data on the atomic displacements are compared.

Measurement of piezoelectric constants of lanthanum-gallium tantalate crystal by X-ray diffraction methods

A method for measuring piezoelectric constants of crystals of intermediate systems by X-ray quasi-multiple-wave diffraction is proposed and implemented. This technique makes it possible to determine the piezoelectric coefficient by measuring variations in the lattice parameter under an external electric field. This method has been approved, its potential is evaluated, and a comparison with high-resolution X-ray diffraction data is performed.

Small-angle X-ray scattering study of conditions for the formation of growth units of protein crystals in lysozyme solutions

The structural composition of lysozyme solutions favorable for the formation of the tetragonal form of protein crystals was studied by synchrotron-based small-angle X-ray scattering depending on the protein concentration and the temperature. Along with lysozyme monomers, dimers and octamers are found in crystallization solutions; the octamer content increases with an increase in the protein concentration.

Study of the structural quality of heteroepitaxial silicon-on-sapphire structures by high-resolution X-ray diffraction, X-ray reflectivity, and electron microscopy

Heteroepitaxial silicon-on-sapphire (SOS) structures have been studied by high-resolution X-ray diffraction, X-ray reflectivity, electron microscopy, and electron diffraction. These methods yielded a large amount of complementary data on the defect structure of both the sapphire substrate and the silicon film, including integral and local (at the atomic-resolution level) information about the substrate, film, and sapphire-silicon interface.