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21.
We study the long-time relaxation of magnetization in a disordered linear chain of Ising spins from an initially aligned state. The coupling constants are ferromagnetic and nearest-neighbor only, taking valuesJ
0 andJ
1 with probabilitiesp and 1–p, respectively. The time evolution of the system is governed by the Glauber master equation. It is shown that for large timest, the magnetizationM(t) varies as [exp(–0
t](t), where 0 is a function of the stronger bond strengthJ
0 only, and (t) decreases slower than an exponential. For very long times, we find that ln (t) varies as –t
1/3. For low enough temperatures, there is an intermediate time regime when ln (t) varies as –t
1/2. The results can be extended to more general probability distributions of ferromagnetic coupling constants, assuming thatM(t) can only increase if any bond in the chain is strengthened. If the coupling constants have a continuous distribution in which the probability density varies as a power law near some maximum valueJ
0, we find that ln (t) varies as –t
1/3(lnt)2/3 for large times. 相似文献
22.
Investigation of the LaI2/H2 System: Phase Relations and Stacking Disorder Heating of LaI2 under 1 bar hydrogen pressure to 650 °C leads to light gray LaI2H0.95(3), accompanied by a structural change from tetragonal to hexagonal. Sharp reflections in the XRD pattern can be indexed in P63/mmc with a = 4.2158(7)Å and c = 15.508(3)Å, however, diffuse reflections indicate the presence of stacking faults in the structure, which correspond to a polytypic intergrowth of MoS2 and NbS2 type structural fragments. Increasing the reaction temperature to 730 °C results in a better defined diffraction pattern with the peak positions close to those of the 2H‐NbS2 structure type. An X‐ray powder study of the samples LaI2Hn proved the miscibility gap between LaI2 and LaI2Hn (0 ≤ n ≤ 0.5) in agreement with previous results. With decreasing H‐content of the homogeneous phase the lattice parameters change in opposite direction, a increasing to 4.236(1)Å and c decreasing to 15.39(2)Å for the lower limit. 相似文献
23.
Electron diffraction and lattice dynamical calculations are used to investigate the unit cells, space group symmetries and inherent displacive flexibility of the room-temperature average structures of AlPO4-8, AlPO4-16 and AlPO4-tridymite. The zero-frequency rigid unit modes (RUMs) of the idealized high-symmetry polymorphs thereof are also investigated along with their relationship to the lower-temperature polymorphism of these zeotypic aluminophosphates. The clear presence of satellite reflections in addition to the Bragg reflections (G) of the underlying Cmc21 parent structure in the case of AlPO4-8 shows that the true unit cell of the room-temperature polymorph has a doubled c-axis due to a condensed RUM mode. Structured diffuse scattering is also observed which can be related to the thermal excitation of RUM modes. In the case of AlPO4-tridymite, a complex F1 triclinic polymorph is observed and related to soft RUM modes while, in the case of AlPO4-16, a soft q=0 RUM mode is shown to be responsible for an observed phase transition in the case of the all SiO2 analogue of AlPO4-16. A large number of additional zero-frequency RUM modes also exist in the case of AlPO4-16. 相似文献
24.
I. Levin T.G. AmosJ.C. Nino T.A. VanderahC.A. Randall M.T. Lanagan 《Journal of solid state chemistry》2002,168(1):69-75
Single-phase pyrochlore-type specimens of Bi1.5Zn0.92Nb1.5O6.92 were studied using combined electron, X-ray and neutron powder diffraction techniques. Rietveld refinements using neutron powder diffraction data confirmed an average pyrochlore structure A2B2O6O′ (Fd&3macr;m, a=10.5616(1) Å) with both Bi and Zn mixed on the A-sites. However, refinements revealed significant local deviations from the ideal pyrochlore arrangement which were caused by apparent displacive disorder on both the A and O′ sites. The best fit was obtained with a disordered model in which the A-cations were randomly displaced by ∼0.39 Å from the ideal eight-fold coordinated positions. The displacements occur along the six 〈112〉 directions perpendicular to the O′-A-O′ links. In addition, the O′ ions were randomly displaced by ∼0.46 Å along all 12 〈110〉 directions. Crystal-chemical considerations suggest the existence of short-range correlations between the O′ displacements and both the occupancy of the A-sites (i.e., Bi or Zn) and the directions of the A-cation displacements. The combined A-cation and O′ displacements change the coordination sphere of the A-cations from 8 to (5+3); the resulting coordination environment of the A-cations bears similarities to that of the (5+1)coordinated Zn in zirconolite-like Bi2Zn2/3Nb4/3O7. The observed displacive disorder in the A2O′ network of the Bi1.5Zn0.92Nb1.5O6.92 structure involves atoms associated with the lowest-frequency vibrational bending mode, and is likely responsible for both the high dielectric constant and the dielectric relaxation reported for this compound. 相似文献
25.
W. Ryba-Romanowski S. Go
b G. Dominiak-Dzik W. A. Pisarski D. Podsiada Z. Czapla 《Journal of Molecular Structure》1998,450(1-3):219-222
Chromium doped (CH3)2NH2Al(SO4)2·6H2O (DMAAlS) and (CH3)2NH2Ga(SO4)2·6H2O (DMAGaS) single crystals were grown and investigated using the methods of optical spectroscopy. It was found that the Cr3+ ions in the two crystals are situated in a strong crystal field in which the 2E state is the lowest. The single narrow R-line associated with the 2E–4A2 phosphorescence of Cr3+ in DMAAlS in a ferroelectric phase indicates an undistorted octahedral site, whereas important distortion of Oh symmetry and structural disorder was inferred from spectral data obtained with DMAGaS:Cr3+ in a low temperature phase. Results of optical investigation are discussed taking into account the structural data. 相似文献
26.
27.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(2):68-71
The features of porphyrins defining their functionality are related to their conformational flexibility. The degree of nonplanarity of metalloporphyrins depends directly on the number of substituents, their size and their location. The introduction of substituents in the meso positions of β‐substituted porphyrins increases the steric interaction and leads to distortions of the porphyrin core. Increasing the distortion of the porphyrin core would augment the bathochromic (red) shift of the electronic absorption spectra. A new nonsymmetrical 2,3,7,8,12,13,17,18‐octaethyl‐5‐[(methylimino)methyl]porphyrin complex of palladium(II), [Pd(C38H47N5)], was synthesized and characterized by NMR, mass spectrometry and X‐ray analysis. The features of the electronic absorption spectrum of the synthesized complex are explained by the planarity of the porphyrin core and the π‐system of the imino group orthogonal to it. 相似文献
28.
Heinz Jagodzinski 《Phase Transitions》2013,86(1-4):231-237
The method of Fourier transforms is applied to the calculation of sharp (coherent) and diffuse (incoherent) scattering of modulated structures and quasicrystals. It is shown that the fundamental difference between both may best be described by introducing different distribution functions of atoms, before applying modulations of the structure. 相似文献
29.
Aleksandar Kremenovi Predrag Vuli 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(3):256-259
The X‐ray powder diffraction pattern that corresponds to the disordered state of kalsilite (potassium aluminium orthosilicate), KAlSiO4, is investigated. The directionality of (Al,Si)O4 tetrahedra within single six‐membered tetrahedral ring building units (S6R) could not be defined. With equal probability for the directionality of each tetrahedra within one S6R [free apex pointing up (U) or down (D)], an undefined sequence of U and D directionalities is needed to describe the S6R building units. The extinction conditions of disordered kalsilite are also different compared to ordered kalsilite within the space group P63. In disordered kalsilite, h0l and hhl reflections with l = 2n + 1 are systematically absent. 相似文献
30.
Millions of people around the world suffer from psychiatric illnesses, causing unbearable burden and immense distress to patients and their families. Accumulating evidence suggests that inflammation may contribute to the pathophysiology of psychiatric disorders such as major depression and bipolar disorder. Copious studies have consistently shown that patients with mood disorders have increased levels of plasma tumor necrosis factor (TNF)-α. Given these findings, selective anti-TNF-α compounds were tested as a potential therapeutic strategy for mood disorders. This mini-review summarizes the results of studies that examined the mood-modulating effects of anti-TNF-α drugs. 相似文献