Atomic-Scale Structure of Nanocrystalline BaxSr1-xTiO3(x= 1, 0.5, 0) by X-ray Diffraction and the Atomic Pair Distribution Function Technique

2006 ◽  
Vol 18 (3) ◽  
pp. 814-821 ◽  
Author(s):  
Valeri Petkov ◽  
Milen Gateshki ◽  
Markus Niederberger ◽  
Yang Ren
2012 ◽  
Vol 26 (18) ◽  
pp. 1250118 ◽  
Author(s):  
M. GHASEMIFARD ◽  
GH. H. KHORRAMI

The three-dimensional atomic-scale structure around Mg , Nb , Ti and Zr atoms in a series ferroelectric material such as PMN, PZT, PMN-PZT and PMN-PT has been studied using X-ray diffraction ( MoK α), Rietveld refinement and the atomic pair distribution function (PDF) technique. The structure and particle size of the powders was determined by X-ray diffraction and TEM observation. The studies show that the materials are disordered at nanometer length distances. The three-dimensional atomic ordering in PMN-based nanopowders may well be described by a cubic structure of the perovskite type, similar to that occurring in the bulk crystals. At the end, the analyzed data show that the sizes of ZrO 6 octahedral are larger than TiO 6 octahedral.


RSC Advances ◽  
2016 ◽  
Vol 6 (56) ◽  
pp. 50479-50486 ◽  
Author(s):  
U. P. Gawai ◽  
H. A. Khawal ◽  
M. R. Bodke ◽  
K. K. Pandey ◽  
U. P. Deshpande ◽  
...  

The combination of SCXRD and atomic PDF is a potential tool for the standardization of atomic scale structures of nanomaterials. This article describes the essential approach and application to ZnS polymorphs.


1999 ◽  
Vol 590 ◽  
Author(s):  
V. Petkov ◽  
S. J. L. Billinge ◽  
J. Heising ◽  
M. G. Kanatzidis ◽  
S. D. Shastri ◽  
...  

ABSTRACTResults of high-energy synchrotron radiation experiments are presented demonstrating the advantages of the high-resolution atomic Pair Distribution Function technique in determining the structure of materials with intrinsic disorder.


2013 ◽  
Vol 203-204 ◽  
pp. 386-389 ◽  
Author(s):  
Wirginia Pilarczyk ◽  
Jacek Podwórny

The materials from Fe-Co-B-Si-Nb system have several interesting and useful properties such as high mechanical strength, abrasive and corrosion resistance and good electrical properties useful in many applications, for example: materials for sensors and precise current transformers. The aim of the presented work was to obtain Fe-based alloy in an amorphous state and examination atoms arrangement in its structure which has an influence on material properties. Multicomponent alloy with nominal composition of Fe37.44Co34.56B19.2Si4.8Nb4 was obtained by pressure die casting method in form of plate with thickness of d=1mm. The structure of rapidly solidified plate was examined by X-ray diffraction. This investigation revealed that the studied sample was amorphous. Based on experimental X-ray data the pair distribution function was calculated and discussion on possible atoms arrangement was carried out.


Author(s):  
Milen Gateshki ◽  
Qing Chen ◽  
Lian-Mao Peng ◽  
Peter Chupas ◽  
Valeri Petkov

High-energy X-ray diffraction and atomic Pair Distribution Function analysis are employed to determine the atomic-scale structure of titanate nanotubes. It is found that the nanotube walls are built of layers of Ti–O


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