Vibrational spectra and thermal rectification in three-dimensional anharmonic lattices

2007 ◽  
Vol 75 (21) ◽  
Author(s):  
Jinghua Lan ◽  
Baowen Li
1994 ◽  
Vol 49 (9) ◽  
pp. 1163-1168 ◽  
Author(s):  
Harald Hillebrecht ◽  
Gerhard Thiele ◽  
Alrik Koppenhöfer ◽  
Heinrich Vahrenkamp

The title compound Zn(NH3)4(ClO4)2 crystallizes in the space group F4̄3m with a = 10.240(1) Å. The crystal structure consists of tetrahedral Zn(NH3)4 cations and two nonequivalent ClO4 anions with crystallographic Td symmetry. The complex ions constitute an arrangement which is known from the Zintl phase MgAgAs. The Zn(NH3)4 cations are ccp packed with perchlorate anions in octahedral and tetrahedral voids. Whereas the ClO4 ions centered at tetrahedral holes do not interact with the other lattice components, the perchlorate ions in the octahedral voids are connected with the ammine ligands by a hydrogen bonded three-dimensional network involving all their N, H, and O atoms. The repeating unit of this network is a N4O4(μ-H)12 cube with N-H = 1.19(2) Å and O···H = 1.98(2)Å . Raman and IR spectra were recorded between 150 and 4000 cm-1. All the expected internal modes of the complex ions could be detected and assigned. The crystallographically different ClO4 anions have nearly the same vibrational spectra, only a slight splitting of two IR modes is observed


Nano Letters ◽  
2012 ◽  
Vol 12 (7) ◽  
pp. 3491-3496 ◽  
Author(s):  
Jonghoon Lee ◽  
Vikas Varshney ◽  
Ajit K. Roy ◽  
John B. Ferguson ◽  
Barry L. Farmer

Quantitatively accurate results for the vibrational spectra of disordered diatomic chains have been computed for four systems over a complete range of lattice order. The spectra obtained are far more complex than has hitherto been suspected, a most detailed array of peaks and valleys becoming apparent for the completely disordered chain at a mass ratio of about 2. The theory of defect modes in nearly ordered lattices shows the association of a number of the peaks with particular kinds of localized chain structure and points the way to possible developments for three-dimensional systems.


2001 ◽  
Vol 56 (2) ◽  
pp. 169-178 ◽  
Author(s):  
Christian Hirschle ◽  
Jürgen Rosstauscher ◽  
Franziska Emmerling ◽  
Caroline Röhr

The oxoantimonates(V) Cs2Sb4O11 (monoclinic, C2/m, a=1964.5(5), b=762.8(2), c=730.2(2) pm, β=96.276(5)°, Z=4) and A3Sb5014 (A=Rb/Cs; orthorhombic, Pbam, a=718.81 (9)/ 743.37(13), b=2447.8(2)/2625.1(5), c=733.1(2)/739.6(3) pm, Z=4) were synthesized from Sb205 and the peroxides AO2 (A=Rb, Cs). Their crystal structures were determined on the basis of single crystal diffractometer data. The structures are composed of three-dimensional nets of [SbO6 ]octahedra connected via common corners and edges, with the A cations incorporated in the resulting channel systems. The Raman spectra of the compounds are discussed in relation with the different type of oxide connectivites in the oxoantimonate anions.


1966 ◽  
Vol 25 ◽  
pp. 227-229 ◽  
Author(s):  
D. Brouwer

The paper presents a summary of the results obtained by C. J. Cohen and E. C. Hubbard, who established by numerical integration that a resonance relation exists between the orbits of Neptune and Pluto. The problem may be explored further by approximating the motion of Pluto by that of a particle with negligible mass in the three-dimensional (circular) restricted problem. The mass of Pluto and the eccentricity of Neptune's orbit are ignored in this approximation. Significant features of the problem appear to be the presence of two critical arguments and the possibility that the orbit may be related to a periodic orbit of the third kind.


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