Search results for "Lattice constant"
showing 9 items of 139 documents
Structure and Properties of YbZnSn, YbAgSn, and Yb2Pt2Pb
1999
Abstract YbZnSn, YbAgSn, and Yb2Pt2Pb were synthesized by reacting the elements in sealed tantalum tubes in a high-frequency furnace. The structures of YbAgSn and Yb2Pt2Pb were refined from single crystal X-ray data: YbAgPb type, P 6 m2, a=479.2(2) pm, c=1087.3(3) pm, wR2=0.050, BASF=0.34(8), 509 F2 values, 18 variables for YbAgSn and Er2Au2Sn type, a=776.0(1) pm, c=701.8(2) pm, wR2=0.072, 426 F2 values, 18 variables for Yb2Pt2Pb. The lattice constants of YbZnSn are confirmed: NdPtSb type, P63mc, a=464.7(1) pm, c=747.7(2) pm. The stannides YbZnSn and YbAgSn crystallize with superstructures of the AlB2 type. The zinc (silver) and tin atoms form ordered Zn3Sn3 and Ag3Sn3 hexagons, respectivel…
2D slab models of TiO2 nanotubes for simulation of water adsorption: Validation over a diameter range
2020
Financial support provided by Scientific Research Project for Students and Young Researchers Nr. SJZ/2019/2 realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART 2 .
Lattice dynamics of superconducting zirconium and hafnium nitride halides
2003
We have performed a study of the Raman active modes of β-HfNCl, β-ZrNCl, and β-ZrNBr and Na-doped β-HfNCl in various scattering configurations. The experimental values are compared with a lattice dynamical calculation andassigned to definite atomic motions. The variation of the atomic force constants are analyzed as a function of the bond length, relating their relative strength with the atomic characteristics of the compound.
Synchrotron radiation multiple diffraction study of Al0.304Ga0.172In0.524As MOVPE grown onto InP(001)
1997
Synchrotron radiation multiple diffraction in Renninger scanning (RS) geometry is used to characterise an Al0.304Ga0.172In0.524 As hetero-epitaxial layer MOVPE grown onto InP(001). (006) RS data for bulk, InP substrate and the quaternary layer were obtained using a new experimental set-up on station 7.6 at the Daresbury synchrotron radiation source. Examination of the multiple diffraction peak profiles reveal the epitaxial layers to have a higher mosaic spread than the underlying substrate materials. Measurements of the layer parallel lattice parameter a∥ = 5.8755 ± 0.003 A, as deduced from the tetragonal distortion measured at the 6-beam case in the layer RS, agrees very well with that obt…
Tuning the Properties of Photonic Films from Polymer Beads by Chemistry
2002
This paper describes the preparation of monodisperse colloids from various methacrylates. These colloids sediment well on glass slides and formin the dried statelarge three-dimensional face-centered cubic photonic crystal films with Bragg reflection in the visible region. Depending on crystallization conditions, the domain sizes vary between 50 and 300 μm. By cross-linking the polymer within the colloids, it is possible to increase the thermal stability of the polymeric photonic structure tremendously (up to 1 h at 200 °C). These photonic structures soften above Tg (rubbery photonic structure), but they cannot fuse. Cross-linked colloids from poly(tert-butyl methacrylate) can either thermal…
Simulation of Dense Polymer Systems in Two and Three Dimensions
1991
Dense polymer systems are modeled by self- and mutually avoiding walks on lattices. Both simple models where the step length is one lattice spacing and more complicated models where the step length is distinctly longer and may fluctuate (“bond fluctuation model”) are discussed, and it is shown that the computer simulation of such models gives useful insight to understand the thermodynamic phase behavior and the relaxational dynamics of dense polymer solutions and polymer melts. The huge demands in computing power needed for a successful simulation of such systems can be covered by parallel computers such as the multitransputer facility of the University of Mainz.
Cyclometallation reactions in complexes of the type Rh(oq)(CO)[P(o-BrC6F4)Ph2]. The molecular structure of F4)Ph2] (oq = 8-hydroxyquinolinate)
1984
Cyclometallation occurs when a solution of the complex Rh(oq)(CO)(PCBr), (PCBr = 2-bromo-3,4,5,6-tetrafluorophenyldiphenylphosphine; oq = 8-hydroxyquinolinate) in toluene is refluxed, giving Rh(oq)2(PC) (PC = P(C6F4)(C6H5)2) and a dimeric compound, not yet completely characterized, formulated as Rh2Br(oq)(PCBr)2. Rh(oq)2(PC) was characterized by elemental analysis, by conductance measurements, and by 19F, 31P NMR and infrared spectroscopy. Its molecular structure was determined by single-crystal X-ray methods and refined by standard procedures to final agreement factors R and Rw of 0.067 and 0.060 for 5346 observed data. Lattice constants are 15.8494(6), 14.7188(5), 14.6675(5) A and β 96.93…
The [Fe(etz)6](BF4)2 Spin-Crossover System—Part One: High-Spin ⇌ Low-Spin Transition in Two Lattice Sites
1996
The [Fe(etz),](BF,), spin-cross-over system (etz = 1-ethyl-1 H-tetrazole) crystallizes in space group P1, with the following lattice constants at 298 K: a 10.419(3), b=15.709(1), c = 18.890(2) A = = 71.223(9), =77.986(10), and = 84.62(1)° V = 2862.0(9) A3 and Z = 3. Two nonequivalent lattice sites, one without (site A) and one with (site B) inversion symmetry, are observed. The population of the two sites nA:nB is 2:l. Iron(II) on site A undergoes a thermal low-spin (LS) high-spin (HS) transition with T1/2I, = 105 K. whereas that on site B remains in the high-spin state down to cryogenic temperatures. Application of external pressure of up to 1200 bar between 200 and 60 K does not cause for…
Kinetics of phase separation in thin films: Lattice versus continuum models for solid binary mixtures
2008
A description of phase separation kinetics for solid binary (A,B) mixtures in thin film geometry based on the Kawasaki spin-exchange kinetic Ising model is presented in a discrete lattice molecular field formulation. It is shown that the model describes the interplay of wetting layer formation and lateral phase separation, which leads to a characteristic domain size $\ell(t)$ in the directions parallel to the confining walls that grows according to the Lifshitz-Slyozov $t^{1/3}$ law with time $t$ after the quench. Near the critical point of the model, the description is shown to be equivalent to the standard treatments based on Ginzburg-Landau models. Unlike the latter, the present treatmen…