% 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},
}