Spectral geometry of crystal lattices

Author(s):  
Motoko Kotani ◽  
Toshikazu Sunada
Author(s):  
J. M. Cowley ◽  
Sumio Iijima

The imaging of detailed structures of crystal lattices with 3 to 4Å resolution, given the correct conditions of microscope defocus and crystal orientation and thickness, has been used by Iijima (this conference) for the study of new types of crystal structures and the defects in known structures associated with fluctuations of stoichiometry. The image intensities may be computed using n-beam dynamical diffraction theory involving several hundred beams (Fejes, this conference). However it is still important to have a suitable approximation to provide an immediate rough estimate of contrast and an evaluation of the intuitive interpretation in terms of an amplitude object.For crystals 100 to 150Å thick containing moderately heavy atoms the phase changes of the electron wave vary by about 10 radians suggesting that the “optimum defocus” theory of amplitude contrast for thin phase objects due to Scherzer and others can not apply, although it does predict the right defocus for optimum imaging.


Author(s):  
Z. L. Wang ◽  
J. Bentley

The success of obtaining atomic-number-sensitive (Z-contrast) images in scanning transmission electron microscopy (STEM) has shown the feasibility of imaging composition changes at the atomic level. This type of image is formed by collecting the electrons scattered through large angles when a small probe scans across the specimen. The image contrast is determined by two scattering processes. One is the high angle elastic scattering from the nuclear sites,where ϕNe is the electron probe function centered at bp = (Xp, yp) after penetrating through the crystal; F denotes a Fourier transform operation; D is the detection function of the annular-dark-field (ADF) detector in reciprocal space u. The other process is thermal diffuse scattering (TDS), which is more important than the elastic contribution for specimens thicker than about 10 nm, and thus dominates the Z-contrast image. The TDS is an average “elastic” scattering of the electrons from crystal lattices of different thermal vibrational configurations,


2003 ◽  
Vol 58 (9) ◽  
pp. 916-921 ◽  
Author(s):  
Amitabha Datta ◽  
Samiran Mitra ◽  
Georgina Rosair

Two new bimetallic complexes [Zn(phen)3][Fe(CN)5(NO)] · 2 H2O · 0.25 MeOH, (1) and [(bipy)2(H2O)Zn(μ-NC)Fe(CN)4(NO)] · 0.5 H2O, (2), have been isolated (where phen = 1,10-phenanthroline and bipy = bipyridyl) and characterised by X-ray crystallography [as the 2 H2O · 0.25 CH3OH solvate for (1) and hemihydrate for (2)] infrared spectroscopy and thermogravimetric analysis. Substitution of phenanthroline for bipyridyl resulted in a cyano-bridged bimetallic species rather than two discrete mononuclear metal complexes. The bond angles of Fe-N-O were shown to be practically linear for both 1 [179.2(7)°] and 2 [178.3(3)°], and the Zn atoms have distorted octahedral geometry. The solvent molecules in both crystal lattices take part in forming hydrogen-bonded networks.


2006 ◽  
Vol 47 (6) ◽  
pp. 062105 ◽  
Author(s):  
Francesco D’Andrea

Author(s):  
M. Born

The theory of lattice deformations is presented in a new form, using the tensor calculus. The case of central forces is worked out in detail, and the results are applied to some simple hexagonal lattices. It is shown that the Bravais hexagonal lattice is unstable but the close-packed hexagonal lattice stable. The elastic constants of this lattice are calculated.


2017 ◽  
Vol 19 (40) ◽  
pp. 27516-27529 ◽  
Author(s):  
A. Kowalewska ◽  
M. Nowacka ◽  
M. Włodarska ◽  
B. Zgardzińska ◽  
R. Zaleski ◽  
...  

Thermally induced formation of symmetric crystal lattices in functional POSS proceeds via different mechanisms and results in unique reversible phenomena.


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