Double crystal X-ray diffraction study of MBE self-organized InAs quantum dots

A series of GaAs/InAs/GaAs samples were studied by double crystal X-ray diffraction and the X-ray dynamic theory was used to analyze the X-ray diffraction results. As the thickness of InAs layer exceeds 1.7 monolayer, 3-dimensional InAs islands appear. Pendellosung fringes shifted. A multilayer structure model is proposed to describe the strain status in the InAs islands of the sample and a good agreement is obtained between the experimental and theoretical curves.

The anions [(ZrOH(CO3)3)2]6− and [(ZrOH(C2O4)3)2]6−: single crystal X-ray diffraction studies of the complexes guanidinium zirconium carbonate [(C(NH2)3)3ZrOH(CO3)3·H2O]2 and sodium zirconium oxalate Na6(ZrOH(C2O4)3)2·7H2O

The complex [(C(NH2)3)3ZrOH(CO3)3·H2O]2 (A) has been shown by means of a single crystal X-ray diffraction study to contain [C(NH2)3]+ cations and dimeric anions of formulation [(ZrOH(CO3)3)2]6−. The anion is centrosymmetric with each metal being bonded to two bridging OH groups and three chelating CO2−3 ions. The Zr atoms are thus eight coordinate with a dodecahedral environments. The ZrO distances formed by the bridgng OH groups are shorter than those formed through zirconiu carbonate interactions. The non-bonded Zr…Zr distance is 3.47(2) Å. An infrared spectroscopic investigation of A provides data which support the findings of the crystallographic study. Likewise the complex Na6(ZrOH(CO2O4)3)2·7H2O (B) contains the anion [(ZrOH(C2O4)3)2]6−. This anion is structurally related to the anion in A as each Zr atom has an eight-coordinate dodecahedral environment being bonded to two bridging OH groups and three chelating oxalate ligands, but has no imposed crysallographic symmetry. The Zr…Zr non-bonded distance is 3.50(1) Å. The OZrO bridge angles are 69.7(4)° and A and 67.4(3)° in B.

Vibrational properties, crystal X-ray diffraction structure and quantum chemical calculations on a divalent sulfur substituted phthalimide: 1H-Isoindole-1,3(2H)-dione, 2-[(methoxycarbonyl)thio]

Structural and conformational properties of 1H-Isoindole-1,3(2H)-dione, 2-[(methoxycarbonyl)thio] (S-phthalimido O-methyl thiocarbonate) are analyzed using a combined approach including X-ray diffraction, vibrational spectra and theoretical calculation methods. The vibrational properties have been studied by infrared and Raman spectroscopies along with quantum chemical calculations (B3LYP and B3PW91 functional in connection with the 6-311++G** and aug-cc-pVDZ basis sets). The crystal structure was determined by X-ray diffraction methods. The substance crystallizes in the monoclinic P2(1)/c space group with a = 6.795(1), b = 5.109(1), c = 30.011(3) angstrom, beta = 90.310(3)degrees and Z = 4 molecules per unit cell. The conformation adopted by the N-S-C=O group is syn (C=O double bond in synperiplanar orientation with respect to the N-S single bond). The experimental molecular structure is well reproduced by the MP2/aug-cc-pVDZ method. (C) 2010 Elsevier B.V. All rights reserved.

A simple miniature furnace for routine collection of single crystal x-ray data up to 1000°C on the Hilger and Watts linear diffractometer

A miniature furnace suitable for routine collection of x-ray data up to 1000°C from single crystals on the Hilger and Watts linear diffractometer, without restricting the normally allowed region of reciprocal space on the diffractometer, is described. The crystal is heated primarily by radiation from a surrounding current-heated, stationary platinum coil wound on a silica bracket. The coil is split at its middle to provide a 4 mm gap for crystal mounting and x-irradiation. The crystal, mounted on a standard goniometer head, can be rotated and centred freely, as in the room temperature case. There is no need for any radiation shields or water-cooling arrangement. Investigations up to 1500°C are possible with slight modifications of the furnace.

Investigation of Ge-Si atomic interdiffusion in Ge nano-dots multilayer structure by double crystal X-ray diffraction

The fluctuations of the strained layer in a superlattice or quantum well can broaden the width of satellite peaks in double crystal X-ray diffraction (DCXRD) pattern. It is found that the width of the 0(th) peak is directly proportional to the fluctuation of the strained layer if the other related facts are ignored. By this method, the Ge-Si atomic interdiffusion in Ge nano-dots and wetting layers has been investigated by DCXRD. It is found that thermal annealing can activate Ge-Si atomic interdiffusion and the interdiffusion in the nano-dots area is much stronger than that in the wetting layer area. Therefore the fluctuation of the Ge layer decreases and the distribution of Ge atoms becomes homogeneous in the horizontal Ge (GeSi actually) layer, which make the width of the 0(th) peak narrow after annealing.

Multiplicity factor and diffraction geometry factor for single crystal X-ray diffraction analysis and measurement of phase content in cubic GaN/GaAs(001) epilayers

On the basis of integrated intensity of rocking curves, the multiplicity factor and the diffraction geometry factor for single crystal X-ray diffraction (XRD) analysis were proposed and a general formula for calculating the content of mixed phases was obtained. With a multifunction four-circle X-ray double-crystal diffractometer, pole figures of cubic (002), {111} and hexagonal {1010} and reciprocal space mapping were measured to investigate the distributive character of mixed phases and to obtain their multiplicity factors and diffraction geometry factors. The contents of cubic twins and hexagonal inclusions were calculated by the integrated intensities of rocking curves of cubic (002), cubic twin {111}, hexagonal {1010} and {1011}.

KINEMATICAL STUDY OF GEXSI1-X/SI STRAINED-LAYER SUPERLATTICE BY A DOUBLE CRYSTAL X-RAY-DIFFRACTION METHOD

Two samples of nominal 20-period Ge0.20Si0.80(5 nm)/Si(25 nm) and Ge0.5Si0.5(5 nm)/Si(25 nm) strained-layer superlattices (SLSs) were studied by the double-crystal X-ray diffraction method. It is convenient to define the perpendicular strains relative to the average crystal. Computer simulations of the rocking curves were performed using a kinematical step model. An excellent agreement between the measured and simulated satellite patterns is achieved. The dependence of the sensitivity of the rocking curves to the structural parameters of the SLS, such as the alloying concentration x and the layer thicknesses and the L component of the reflection g = (HKL), are clearly demonstrated.

Study of double barrier superlattice by synchrotron radiation and double-crystal x-ray diffraction

An (A1As/GaAs/A1As/A1GaAs)/GaAs(001) double-barrier superlattice grown by molecular beam epitaxy (MBE) is studied by combining synchrotron radiation and double-crystal x-ray diffraction (DCD). The intensity of satellite peaks is modulated by the wave function of each sublayer in one superlattice period. Simulated by the x-ray dynamical diffraction theory, it is discovered that the intensity of the satellite peaks situated near the modulating wave node point of each sublayer is very sensitive to the variation of the layer structural parameters, The accurate layer thickness of each sublayer is obtained with an error less than 1 Angstrom. Furthermore, x-ray kinematical diffraction theory is used to explain the modulation phenomenon. (C) 1996 American Institute of Physics.

Content analyses in GaMnAs by double-crystal X-ray diffraction

A model for analyzing point defects in compound crystals was improved. Based on this modified model, a method for measuring Mn content in GaMnAs was established. A technique for eliminating the zero-drift-error was also established in the experiments of X-ray diffraction. With these methods, the Mn content in GaMnAs single crystals fabricated by the ion-beam epitaxy system was analyzed.

Structure of the rhenium X-ray LIII absorption edge in caesium hexachlororhenate(IV)

The X-ray LIII absorption-edge structure of rhenium in Cs2[ReCl6] has been measured with a bent-crystal X-ray spectrograph. An analysis in terms of molecular-orbital (m.o.) theory has been attempted. The energies of the m.o. levels, crystal-field splitting parameter, effective magnetic moment, magnetic susceptibility, and Landég parameter have been determined from this analysis. An estimate of the Re–Cl bond length has also been made.

Investigation on quality of cubic GaN/GaAs(100) by double-crystal X-ray diffraction

Cubic GaN was grown on GaAs(100) by low pressure metal organic chemical vapor deposition (MOCVD). X-ray diffraction, scanning electron microscope (SEM) and photoluminescence (PL) spectra were performed to characterize the quality of the GaN film. The PL spectra of cubic GaN thin films being thicker than 1.5 mu m were reported. Triple-crystal diffraction to analyze orientation distributions and strain of the thin films was also demonstrated.

Triclinic deformation and anisotropic strain relaxation of an InAs film on a GaAs(001) substrate measured by a series of symmetric double crystal X-ray diffraction

We presented a series of symmetric double crystal X-ray diffraction (DCXD) measurements, (0 0 4), (2 2 0) and (2 - 2 0) diffraction, to investigate the strain relaxation in an InAs film grown on a GaAs(0 0 1) substrate. The strain tensor and rotation tensor were calculated according to the DCXD results. It is found that the misfit strain is relaxed nearly completely and the strain relaxation caused a triclinic deformation in the epilayer. The lattice parameter along the [1 1 0] direction is a little longer than that along the [1 - 1 0] direction. Furthermore, a significant tilt, 0.2 degrees, towards the [1 1 0] direction while a very slight one: 0.002 degrees, towards [1 - 1 0] direction were discussed. This anisotropic strain relaxation is attributed to the asymmetric distribution of misfit dislocations, which is also indicated by the variation of the full-width at half-maximum (FWHM) of (0 0 4) diffraction along four azimuth angles. (C) 1998 Elsevier Science B.V. All rights reserved.

ESTIMATION OF THE STRAIN STATE OF GEXSI1-X/SI STRAINED-LAYER SUPERLATTICES BY DOUBLE-CRYSTAL X-RAY-DIFFRACTION

20-period strained-layer superlattices of nominal composition and width Ge0.2Si0.8 (5 nm)/Si(25 nm) and Ge0.5Si0.5 (5 nm)/Si(25 nm) were studied by double-crystal X-ray diffraction. The Ge content x was determined by computer simulation of the diffraction features from the superlattice. This method is shown to be independent of the relaxation of the superlattice. Alternatively, x can be obtained from the measured difference DELTAa/a in lattice spacing perpendicular to the growth plane. It is sensitive to the relaxation. Comparing the results obtained in these two different ways, information about the relaxation of the superlattices can be obtained.