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101.
Manju Rajeswaran Thomas N. Blanton David R. Whitcomb Nicholas Zumbulyadis Brian J. Antalek Scott T. Misture 《Journal of solid state chemistry》2006,179(4):1053-1059
In continuation of our interest in solid-state structures of silver complexes of photographic importance, the structure for silver benzotriazole (AgBZT), has now been obtained. The preferred method for solving crystal structures is via single-crystal X-ray diffraction (XRD). However, for some materials, growing single crystals of appropriate size and quality is often difficult or even impossible. AgBZT is an example of such a silver complex with poor solubility. The usual routes to preparing single crystals using recrystallization from a cooperating solvent resulted in polycrystalline powder samples. We propose a crystal structure for AgBZT, solved from synchrotron X-ray powder diffraction data, using a direct-space Monte Carlo simulated annealing approach. AgBZT crystals are monoclinic, (P21/c), with unit cell dimensions, a=14.8052(3) Å, b=3.7498(4) Å, c=12.3495(12) Å, and β=114.200(6)°. The AgBZT complex is constructed from all three of the Benzotriazole (BZT) nitrogens bonding to a separate silver atom. As a consequence of this bonding mode, the structure is a highly cross-linked, coordination polymer. 相似文献
102.
With the solid phase reaction between pulsed-laser-deposited (PLD) ZnOfilm and α-Al2O3 substrate, ZnAl2O4/α-Al2O3 complex substrates were synthesized. X-ray diffraction (XRD) spectra show that as the reaction proceeds, ZnAl2O4 changes from the initial (111)-oriented single crystal to poly-crystal, and then to inadequate (111) orientation. Corresponding scanning electron microscope (SEM)images indicate that the surface morphology of ZnAl2O4 transforms from uniform islands to stick structures, and then to bulgy-line structures. In addition, XRDspectra present that ZnAl2O4 prepared at low temperature is unstable at the environment of higher temperature. On the as-obtained ZnAl2O4/α-Al2O3 substrates, GaN films were grown without any nitride buffer using light-radiation heating low-pressure MOCVD (LRH-LP-MOCVD). XRD spectra indicate that GaN film on this kind of complex substrate changes from c-axis single crystal to poly-crystal as ZnAl2O4 layer is thickened. For the single crystal GaN, its full width at half maximum (FWHM) of X-ray rocking curve is 0.4°. Results indicate that islands on thin ZnAl2O4 layer can promote nucleation at initial stage of GaN growth, which leadsto the (0001)-oriented GaN film. 相似文献
103.
Starting from the vectorial Rayleigh diffraction integral formula and without using the far-field approximation, a solution of the wave equation beyond the paraxial approximation is found, which represents vectorial non-paraxial elliptical Gaussian beams in free space. The far-field expressions for non-paraxial Gaussian beams and elliptical Gaussian beams can be regarded as special cases treated in this paper. Some basic propagation properties of vectorial non-paraxial elliptical Gaussian beams, including the irradiance distribution, phase term, beam widths and divergence angles are studied. Numerical results are given and illustrated. 相似文献
104.
105.
O. Maksimov P. Fisher M. Skowronski P.A. Salvador M. Snyder J. Xu X. Weng 《Journal of Crystal Growth》2008,310(11):2760-2766
MgO films were grown on (0 0 1) yttria-stabilized zirconia (YSZ) substrates by molecular beam epitaxy (MBE). The crystalline structures of these films were investigated using X-ray diffraction and transmission electron microscopy. Growth temperature was varied from 350 to 550 °C, with crystalline quality being improved at higher temperatures. The MgO films had a domain structure: (1 1 1)[1 1 2¯]MgO(0 0 1)[1 0 0]YSZ with four twin variants related by a 90° in-plane rotation about the [1 1 1]MgO axis. The observed epitaxial orientation was compared to previous reports of films grown by pulsed laser deposition and sputtering and explained as resulting in the lowest interface energy. 相似文献
106.
Juguan Gu Juguan Gu Daomu Zhao Zhangrong Mei Zhangrong Mei Haidan Mao Haibin Xu 《Optik》2004,115(11-12):529-532
By means of Collins diffraction integral formula in the paraxial approximation and based on the fact that a hard aperture function can be expanded into a finite sum of complex Gaussian functions, an approximate analytical expression for linearly polarized Bessel-Gaussian beams passing through a paraxial ABCD optical system with an annular aperture has been derived. The results provide more convenient for studying their propagation and transformation than the usual way by using diffraction integral directly. By using the analytical expression and the diffraction integral formula some numerical simulations are done to illustrate for the propagation characteristics of a linearly polarized Bessel-Gaussian beam through an optical system with an annular aperture. 相似文献
107.
利用磁控溅射的方法在氧化后的单晶Si基片上制备了TiNi形状记忆合金薄膜,利用示差扫描量热法和原位X射线衍射研究了薄膜的马氏体相变特征。通过60keV质子注入(辐照)薄膜样品研究了H+离子对合金薄膜马氏体相变特征的影响,结果表明氢离子注入后引起了马氏体相变开始Ms和结束点Mf以及逆马氏体相变开始As和结束温度Af的下降,而对R相变开始Rs和结束温度Rf影响不大。掠入射X射线衍射表明H+离子注入后有氢化物形成。H+离子注入形成的氢化物是引起相变点的变化的主要因素。 相似文献
108.
Synthesis and Structure of K3N Two phases in the binary system K/N have been obtained via co‐deposition of potassium and nitrogen onto polished sapphire at 77 K and subsequent heating to room temperature. The powder diffraction pattern of one of these phases can be satisfactorily interpreted by assuming the composition K3N, and the anti‐TiI3 structure‐type, which is also adopted by Cs3O. The resulting hexagonal lattice constants are: a = 779.8(2), c = 759.2(9) pm, Z = 2, P63/mcm. Comparison with possible structures of K3N generated by computational methods and refined at Hartree‐Fock‐ and DFT level, reveals that the energetically most favoured structure has not formed (presumable Li3P‐type), but instead one of those with very low density. In this respect, the findings for K3N are analogous to the results on Na3N. The thermal evolution of the deposited starting mixture has been investigated. Hexagonal K3N transforms to another K/N phase at 233 K. Its XRD can be fully indexed resulting in an orthorhombic cell a = 1163, b = 596, c = 718 pm. Decomposition leaving elemental potassium as the only residue occurs at 263 K. 相似文献
109.
综述了暗中空光束自旋与轨道角动量的一些性质及其与中性原子之间的相互作用,并简单介绍了暗中空光束及其角动量在原子光学和玻色_爱因斯坦凝聚(BEC)以及各种原子光学器件研制方面的应用. 相似文献
110.
Intra and intermolecular interactions of heptasulfur imide (S7NH) are investigated in terms of topological properties analyses, such analyses are applied to both experimental (multipole model) and theoretically calculated (DFT and PDFT calculations) charge densities of the isolated molecule and of the crystal. The same analyses are also applied to a multipole model density obtained from theoretically (PDFT) derived structural amplitudes. The covalent bond character of S-N, N-H and S-S bonds are well described in terms of density, ρb, and total energy density, Hb, at the bond critical point rc, though it is clear that the S-S bonds are weaker shared interactions than those of N-H and S-N bonds. Lone pair electron regions of sulfur and nitrogen atoms are revealed as the local charge concentration site from the Laplacian of charge density. The even weaker intermolecular interactions are well characterized; these include the N-H?S hydrogen bonding, N?S binding interactions and S?S binding interactions. All these intermolecular binding interactions are closed-shell interactions. The Laplacian of charge density demonstrates a directional intermolecular binding interaction. The corresponding intermolecular binding energies are derived by MP2/6-311+G(d,p) calculations. Atomic graph of each atom of the molecule is described in detail by the vertices, edges and faces of the polyhedron around the nucleus to illustrate such directional interactions. 相似文献