scholarly journals General symmetry properties of incommensurately modulated crystals described by projective representations of line groups

2015 ◽  
Vol 2 (2) ◽  
pp. 10-17
Author(s):  
Ágnes Bálint ◽  
István Nikolényi ◽  
Csaba Mészáros

After a detailed investigation of some fundamental general orthogonal symmetry properties of incommensurate condensed systems, the line groups are applied for describing the structure of such modulated crystals. It is demonstrated, that use of projective representations of these groups may give a more refined description of such structures and significantly extends applicability of the diffuse scattering formalism.

2007 ◽  
Vol 63 (4) ◽  
pp. 545-550 ◽  
Author(s):  
Thomas Malcherek

A structural phase transition from space-group symmetry P21/c to C2/c is reported for NaTaOGeO4 (NTGO). The critical temperature has been located at T c = 116 K, based on the appearance of sharp diffraction maxima at positions h + k = 2n + 1 of reciprocal space on cooling below this temperature. Strongly anisotropic diffuse scattering in sheets normal to [001] is observable for T > T c and persists up to ambient temperature. Similarities to phase transitions observed in other compounds of the titanite structure type are discussed. The symmetry properties of these phase transitions are reassessed on the basis of the structural data available. The primary order parameter is identified with the displacement of the transition metal cation M (M = Ta in NTGO) away from the centre of symmetry that it nominally occupies in the paraphase. The order parameter transforms as the Y_{2}^{-} representation. The anisotropic diffuse scattering is attributed to the one-dimensional correlation of local M displacements parallel to the direction of chains of trans-corner-sharing MO6 octahedra. The critical temperatures of the isomorphous phase transitions in various titanite-type compounds depend linearly on the squared transition-metal displacement measured in the ordered P21/c phase.


Author(s):  
Irina V. Shapochkina ◽  
Nastassia D. Savina ◽  
Viktor M. Rozenbaum ◽  
Taisiya Ye. Korochkova

We present a study of general symmetry properties of a Brownian ratchet model. The study is based both on constructing chains of symmetry transformations reflecting explicit and hidden symmetries of the average ratchet velocity as a functional of the spatially periodic potential energy of a nanoparticle and on taking into account the symmetry types of periodic functions that are components of the potential energy of an additive-multiplicative form. A ratchet with a sawtooth stationary potential profile, dichotomously perturbed by a spatially harmonic signal, is investigated. Conclusions are made on both the possibility of occurrence of the ratchet effect and its direction for given values of the asymmetry parameter of the sawtooth profile, phase shifts of the control component, and frequencies of temporal fluctuations. These conclusions have been obtained only on the basis of symmetry transformations; that demonstrates the predictive value of the approach presented. The results of the symmetry analysis are confirmed by numerical simulation of the functioning of a ratchet with dichotomous stochastic spatially periodic fluctuations of the nanoparticle potential energy.


1998 ◽  
Vol 12 (01) ◽  
pp. 81-97 ◽  
Author(s):  
A. Avella ◽  
F. Mancini ◽  
D. Villani ◽  
L. Siurakshina ◽  
V. Yu. Yushankhai

The two-dimensional Hubbard model is analyzed in the framework of the two-pole expansion. It is demonstrated that several theoretical approaches, when considered at their lowest level, are all equivalent and share the property of satisfying the conservation of the first four spectral momenta. It emerges that the various methods differ only in the way of fixing the internal parameters and that it exists a unique way to preserve simultaneously the Pauli principle and the particle–hole symmetry. A comprehensive comparison with respect to some general symmetry properties and the data from quantum Monte Carlo analysis shows the relevance of imposing the Pauli principle.


Author(s):  
M.A. O'Keefe ◽  
Sumio Iijima

We have extended the multi-slice method of computating many-beam lattice images of perfect crystals to calculations for imperfect crystals using the artificial superlattice approach. Electron waves scattered from faulted regions of crystals are distributed continuously in reciprocal space, and all these waves interact dynamically with each other to give diffuse scattering patterns.In the computation, this continuous distribution can be sampled only at a finite number of regularly spaced points in reciprocal space, and thus finer sampling gives an improved approximation. The larger cell also allows us to defocus the objective lens further before adjacent defect images overlap, producing spurious computational Fourier images. However, smaller cells allow us to sample the direct space cell more finely; since the two-dimensional arrays in our program are limited to 128X128 and the sampling interval shoud be less than 1/2Å (and preferably only 1/4Å), superlattice sizes are limited to 40 to 60Å. Apart from finding a compromis superlattice cell size, computing time must be conserved.


Author(s):  
B. Carragher ◽  
M. Whittaker

Techniques for three-dimensional reconstruction of macromolecular complexes from electron micrographs have been successfully used for many years. These include methods which take advantage of the natural symmetry properties of the structure (for example helical or icosahedral) as well as those that use single axis or other tilting geometries to reconstruct from a set of projection images. These techniques have traditionally relied on a very experienced operator to manually perform the often numerous and time consuming steps required to obtain the final reconstruction. While the guidance and oversight of an experienced and critical operator will always be an essential component of these techniques, recent advances in computer technology, microprocessor controlled microscopes and the availability of high quality CCD cameras have provided the means to automate many of the individual steps.During the acquisition of data automation provides benefits not only in terms of convenience and time saving but also in circumstances where manual procedures limit the quality of the final reconstruction.


Author(s):  
C. Barry Carter

This paper will review the current state of understanding of interface structure and highlight some of the future needs and problems which must be overcome. The study of this subject can be separated into three different topics: 1) the fundamental electron microscopy aspects, 2) material-specific features of the study and 3) the characteristics of the particular interfaces. The two topics which are relevant to most studies are the choice of imaging techniques and sample preparation. The techniques used to study interfaces in the TEM include high-resolution imaging, conventional diffraction-contrast imaging, and phase-contrast imaging (Fresnel fringe images, diffuse scattering). The material studied affects not only the characteristics of the interfaces (through changes in bonding, etc.) but also the method used for sample preparation which may in turn have a significant affect on the resulting image. Finally, the actual nature and geometry of the interface must be considered. For example, it has become increasingly clear that the plane of the interface is particularly important whenever at least one of the adjoining grains is crystalline.A particularly productive approach to the study of interfaces is to combine different imaging techniques as illustrated in the study of grain boundaries in alumina. In this case, the conventional imaging approach showed that most grain boundaries in ion-thinned samples are grooved at the grain boundary although the extent of this grooving clearly depends on the crystallography of the surface. The use of diffuse scattering (from amorphous regions) gives invaluable information here since it can be used to confirm directly that surface grooving does occur and that the grooves can fill with amorphous material during sample preparation (see Fig. 1). Extensive use of image simulation has shown that, although information concerning the interface can be obtained from Fresnel-fringe images, the introduction of artifacts through sample preparation cannot be lightly ignored. The Fresnel-fringe simulation has been carried out using a commercial multislice program (TEMPAS) which was intended for simulation of high-resolution images.


Physica ◽  
1952 ◽  
Vol 18 (2) ◽  
pp. 1017-1019 ◽  
Author(s):  
D PURSEY

Sign in / Sign up

Export Citation Format

Share Document