Polarization fluctuation of BaTiO3 at unit cell level mapped by four-dimensional scanning transmission electron microscopy

2022 ◽  
Vol 40 (1) ◽  
pp. 013205
Author(s):  
Tim B. Eldred ◽  
Jacob G. Smith ◽  
Wenpei Gao
2014 ◽  
Vol 20 (5) ◽  
pp. 1453-1462 ◽  
Author(s):  
Markus Heidelmann ◽  
Juri Barthel ◽  
Gerhard Cox ◽  
Thomas E. Weirich

AbstractThe atomic structure of Cs0.44[Nb2.54W2.46O14] closely resembles the structure of the most active catalyst for the synthesis of acrylic acid, the M1 phase of ${\rm Mo}_{{{\rm 10}}} {\rm V}_{{\rm 2}}^{{{\rm 4{\plus}}}} {\rm Nb}_{2} {\rm TeO}_{{{\rm 42}{\minus}x}} $ . Consistently with observations made for the latter compound, the high-angle electron scattering signal recorded by scanning transmission electron microscopy shows a significant intensity variation, which repeats periodically with the projected crystallographic unit cell. The occupation factors for the individual mixed Nb/W atomic columns are extracted from the observed intensity variations. For this purpose, experimental images and simulated images are compared on an identical intensity scale, which enables a quantification of the cation distribution. According to our analysis specific sites possess low tungsten concentrations of 25%, whereas other sites have tungsten concentrations above 70%. These findings allow us to refine the existing structure model of the target compound, which has until now described a uniform distribution of the niobium and tungsten atoms in the unit cell, showing that the similarity between Cs0.44[Nb2.54W2.46O14] and the related catalytic compounds also extends to the level of the cation segregation.


Author(s):  
Norihiko L. Okamoto ◽  
Katsushi Tanaka ◽  
Akira Yasuhara ◽  
Haruyuki Inui

The structure of the δ1pphase in the iron−zinc system has been refined by single-crystal synchrotron X-ray diffraction combined with scanning transmission electron microscopy. The large hexagonal unit cell of the δ1pphase with the space group ofP63/mmccomprises more or less regular (normal) Zn12icosahedra, disordered Zn12icosahedra, Zn16icosioctahedra and dangling Zn atoms that do not constitute any polyhedra. The unit cell contains 52 Fe and 504 Zn atoms so that the compound is expressed with the chemical formula of Fe13Zn126. All Fe atoms exclusively occupy the centre of normal and disordered icosahedra. Iron-centred normal icosahedra are linked to one another by face- and vertex-sharing forming two types of basal slabs, which are bridged with each other by face-sharing with icosioctahedra, whereas disordered icosahedra with positional disorder at their vertex sites are isolated from other polyhedra. The bonding features in the δ1pphase are discussed in comparison with those in the Γ and ζ phases in the iron−zinc system.


Author(s):  
F. Khoury ◽  
L. H. Bolz

The lateral growth habits and non-planar conformations of polyethylene crystals grown from dilute solutions (<0.1% wt./vol.) are known to vary depending on the crystallization temperature.1-3 With the notable exception of a study by Keith2, most previous studies have been limited to crystals grown at <95°C. The trend in the change of the lateral growth habit of the crystals with increasing crystallization temperature (other factors remaining equal, i.e. polymer mol. wt. and concentration, solvent) is illustrated in Fig.l. The lateral growth faces in the lozenge shaped type of crystal (Fig.la) which is formed at lower temperatures are {110}. Crystals formed at higher temperatures exhibit 'truncated' profiles (Figs. lb,c) and are bound laterally by (110) and (200} growth faces. In addition, the shape of the latter crystals is all the more truncated (Fig.lc), and hence all the more elongated parallel to the b-axis, the higher the crystallization temperature.


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