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Title: Defect mechanisms in BaTiO 3 -Bi M O 3 ceramics

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3];  [4];  [5];  [6];  [7]; ORCiD logo [7];  [6];  [8]; ORCiD logo [6]
  1. Materials Science, School of Mechanical, Industrial, and Manufacturing Engineering, Oregon State University, Corvallis Oregon, Materials Science and Engineering, The University of New South Wales, Sydney NSW Australia
  2. Institute of Materials Science, Technische Universität Darmstadt, Darmstadt Germany, US Naval Research Laboratory, Washington DC
  3. Institute of Materials Science, Technische Universität Darmstadt, Darmstadt Germany
  4. US Naval Research Laboratory, Washington DC
  5. College of Science, Oregon State University, Corvallis Oregon
  6. Materials Science, School of Mechanical, Industrial, and Manufacturing Engineering, Oregon State University, Corvallis Oregon
  7. Institute of Physical Chemistry, RWTH Aachen University, Aachen Germany
  8. School of Nuclear Science and Engineering, Oregon State University, Corvallis Oregon
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1416398
Grant/Contract Number:
AC02-06CH11357
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of the American Ceramic Society
Additional Journal Information:
Related Information: CHORUS Timestamp: 2018-01-10 02:52:03; Journal ID: ISSN 0002-7820
Publisher:
Wiley-Blackwell
Country of Publication:
United States
Language:
English

Citation Formats

Kumar, Nitish, Patterson, Eric A., Frömling, Till, Gorzkowski, Edward P., Eschbach, Peter, Love, Ian, Müller, Michael P., De Souza, Roger A., Tucker, Julie, Reese, Steven R., and Cann, David P.. Defect mechanisms in BaTiO 3 -Bi M O 3 ceramics. United States: N. p., 2018. Web. doi:10.1111/jace.15403.
Kumar, Nitish, Patterson, Eric A., Frömling, Till, Gorzkowski, Edward P., Eschbach, Peter, Love, Ian, Müller, Michael P., De Souza, Roger A., Tucker, Julie, Reese, Steven R., & Cann, David P.. Defect mechanisms in BaTiO 3 -Bi M O 3 ceramics. United States. doi:10.1111/jace.15403.
Kumar, Nitish, Patterson, Eric A., Frömling, Till, Gorzkowski, Edward P., Eschbach, Peter, Love, Ian, Müller, Michael P., De Souza, Roger A., Tucker, Julie, Reese, Steven R., and Cann, David P.. 2018. "Defect mechanisms in BaTiO 3 -Bi M O 3 ceramics". United States. doi:10.1111/jace.15403.
@article{osti_1416398,
title = {Defect mechanisms in BaTiO 3 -Bi M O 3 ceramics},
author = {Kumar, Nitish and Patterson, Eric A. and Frömling, Till and Gorzkowski, Edward P. and Eschbach, Peter and Love, Ian and Müller, Michael P. and De Souza, Roger A. and Tucker, Julie and Reese, Steven R. and Cann, David P.},
abstractNote = {},
doi = {10.1111/jace.15403},
journal = {Journal of the American Ceramic Society},
number = ,
volume = ,
place = {United States},
year = 2018,
month = 1
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on January 8, 2019
Publisher's Accepted Manuscript

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  • The structure and mechanisms of bonding and defect formation at the interfaces between amorphous silica (a-SiO2) and BaTiO3(0 0 1) were investigated using ab initio molecular dynamics. It was found that the nature of interfacial bonds crucially depends on the BaTiO3 surface termination. In particular, the interface between silica and TiO2-terminated BaTiO3 (BTO) slab is characterised by strong covalent Ti–O–Si bonds, while the interface between silica and BaO-terminated BTO demonstrates ionic character of interfacial bonds and exhibits bond instability. In both cases, the dynamics of oxygen species at oxide interfaces is a driving force of the formation of interfacial bondsmore » and defects.« less
  • The formation of a pyrochlore structure phase is a major problem in the preparation of Pb(Zn/sub 1/3/Nb/sub 2/3/)O/sub 3/ (PZN) based ceramics since its presence is detrimental to the dielectric and piezoelectric properties. An analysis of electronegativity difference and tolerance factor of several ABO/sub 3/ type of compounds shows that BaTiO/sub 3/ is an excellent additive to stabilize perovskite phase in PZN, and the present experiments show that 6 to 7 mol% of BaTiO/sub 3/ stabilizes perovskite structure in PZN. Phase relations, ceramic preparation procedure, and dielectric properties of compositions in the PZN-BT system are presented. Curie temperatures of themore » compositions in this system range between - 130/sup 0/ to 140/sup 0/C. Compositions suitable for capacitor application have been identified.« less
  • The triangular and hexagonal crystals which form during annealing on the surfaces of ceramics in the BaTiO/sub 3/-TiO/sub 2/ system have been identified as Ba/sub 3/(PO/sub 4/)/sub 2/. The primary source of phosphorus is the TiO/sub 2/ raw material which contains less than or equal to0.2 wt% as P/sub 2/O/sub 5/. During sintering at greater than or equal to 1300/sup 0/C the phosphorus is well distributed, presumably as a glass film at the grain boundaries. After annealing at less than or equal to 1275/sup 0/C the phosphorus concentrates at the surface as Ba/sub 3/(PO/sub 4/)/sub 3/ crystals.