% IMPORTANT: The following is UTF-8 encoded. This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.
@ARTICLE{Azough:840198,
author = {Azough, Feridoon and Cernik, Robert Joseph and Schaffer,
Bernhard and Kepaptsoglou, Demie and Ramasse, Quentin
Mathieu and Bigatti, Marco and Ali, Amir and MacLaren, Ian
and Barthel, Juri and Molinari, Marco and Baran, Jakub
Dominik and Parker, Stephen Charles and Freer, Robert},
title = {{T}ungsten {B}ronze {B}arium {N}eodymium {T}itanate ({B}a
6–3 n {N}d 8+2 n {T}i 18 {O} 54 ): {A}n {I}ntrinsic
{N}anostructured {M}aterial and {I}ts {D}efect
{D}istribution},
journal = {Inorganic chemistry},
volume = {55},
number = {7},
issn = {1520-510X},
address = {Washington, DC},
publisher = {American Chemical Society},
reportid = {FZJ-2017-07752},
pages = {3338 - 3350},
year = {2016},
abstract = {We investigated the structure of the tungsten bronze barium
neodymium titanates Ba6–3nNd8+2nTi18O54, which are
exploited as microwave dielectric ceramics. They form a
complex nanostructure, which resembles a nanofilm with
stacking layers of ∼12 Å thickness. The synthesized
samples of Ba6–3nNd8+2nTi18O54 (n = 0, 0.3, 0.4, 0.5) are
characterized by pentagonal and tetragonal columns, where
the A cations are distributed in three symmetrically
inequivalent sites. Synchrotron X-ray diffraction and
electron energy loss spectroscopy allowed for quantitative
analysis of the site occupancy, which determines the defect
distribution. This is corroborated by density functional
theory calculations. Pentagonal columns are dominated by Ba,
and tetragonal columns are dominated by Nd, although
specific Nd sites exhibit significant concentrations of Ba.
The data indicated significant elongation of the Ba columns
in the pentagonal positions and of the Nd columns in
tetragonal positions involving a zigzag arrangement of atoms
along the b lattice direction. We found that the preferred
Ba substitution occurs at Nd[3]/[4] followed by Nd[2] and
Nd[1]/[5] sites, which is significantly different to that
proposed in earlier studies. Our results on the
Ba6–3nNd8+2nTi18O54 “perovskite” superstructure and
its defect distribution are particularly valuable in those
applications where the optimization of material properties
of oxides is imperative; these include not only microwave
ceramics but also thermoelectric materials, where the
nanostructure and the distribution of the dopants will
reduce the thermal conductivity.},
cin = {ER-C-2},
ddc = {540},
cid = {I:(DE-Juel1)ER-C-2-20170209},
pnm = {143 - Controlling Configuration-Based Phenomena (POF3-143)},
pid = {G:(DE-HGF)POF3-143},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:26998674},
UT = {WOS:000373550700020},
doi = {10.1021/acs.inorgchem.5b02594},
url = {https://juser.fz-juelich.de/record/840198},
}