Analysis of Oxygen Vacancy Trapping at [001] Symmetric Tilt Grain Boundaries in Barium Titanate by Atomistic Simulations

Takashi Oyama; Nobuyuki Wada; Hiroshi Takagi

doi:10.4028/www.scientific.net/KEM.445.39

Paper Titles

Crystal Structure Analysis of High T_C Barium Titanate – Bismuth Perovskite-Type Oxide System Ceramics and their Piezoelectric Property
p.23

Dielectric Properties of Barium Titanate Ceramics with Nano-Sized Domain
p.27

Evolution of Internal Stress and Influence on Dielectric Properties by Number of Dielectric Layers in MLCC
p.31

Degradation of Resistance over Time for Multilayer Ceramic Capacitors
p.35

Analysis of Oxygen Vacancy Trapping at [001] Symmetric Tilt Grain Boundaries in Barium Titanate by Atomistic Simulations
p.39

Improvement of Compact X-Rays Source Using Uniaxially Polarized LiNbO₃ Single Crystal
p.43

Nonlinear Shear Response in (K,Na)NbO₃-Based Lead-Free Piezoelectric Ceramics
p.47

Discharge Current Measurement and Depolarization Property of Lead-Free Niobate Piezoceramics
p.51

Dielectric and Piezoelectric Properties of (Na,Ba)(Nb,Ti)O₃ Lead-Free Piezoelectric Ceramics
p.55

HomeKey Engineering MaterialsKey Engineering Materials Vol. 445Analysis of Oxygen Vacancy Trapping at [001]...

Analysis of Oxygen Vacancy Trapping at [001] Symmetric Tilt Grain Boundaries in Barium Titanate by Atomistic Simulations

Abstract:

The role of grain boundaries (GBs) in the diffusion of oxygen vacancies (VO••s) in barium titanate (BaTiO3) and its mechanism were investigated using atomistic simulation techniques. It was found that GBs trapped VO••s at specific sites in the course of the diffusion, and the excess energy reflecting structural distortion of the GB was closely related to the availability of the trapping. GBs therefore act as a resistance of the diffusion of VO••s, suggesting that electrical degradation of multilayer ceramic capacitors (MLCCs), which is derived from vacancy diffusion, enables to be additionally improved by controlling GB structures in BaTiO3-based dielectrics.

You might also be interested in these eBooks

View Preview

Info:

Periodical:

Key Engineering Materials (Volume 445)

Pages:

39-42

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.445.39

Citation:

Cite this paper

Online since:

July 2010

Authors:

Takashi Oyama, Nobuyuki Wada, Hiroshi Takagi

Keywords:

Barium Titanate (BT), Electrical Degradation, Grain Boundary, Multilayer Ceramic Capacitor (MLCC), Oxygen Vacancy

Export:

RIS, BibTeX

Price:

Permissions CCC:

Request Permissions

Permissions PLS:

Request Permissions

Сopyright:

Citation:

References

[1] I. Burn, and G. H. Maher: J. Mater. Sci. Vol. 10 (1975), p.633.

Google Scholar

[2] T. Baiatu, R. Waser and Kärdtl: J. Am. Ceram. Soc. Vol. 73 (1990), p.1663.

Google Scholar

[3] Y. Sakabe, Y. Hamaji, H. Sano and N. Wada: Jpn. J. Appl. Phys. Vol. 41 (2002), p.5668.

Google Scholar

[4] J. Itoh, D. -C. Park, N. Ohashi, I. Sakaguchi, I. Yashima, H. Haneda and J. Tanaka: Jpn. J. Appl. Phys. Vol. 41 (2002), p.3798.

Google Scholar

[5] T. Oyama, N. Wada and Y. Sakabe: Key Eng. Mater. Vol. 388 (2008), p.269.

Google Scholar

[6] L. Mann, M. Randall, D. Barber, P. Pinceloup, J. Beeson, G. -Y. Yang and E. Dickey, in Program Summary and Extended Abstract of the 11th US-Japan Seminar on Dielectric & Piezoelectric Ceramics, 39 (2003).

Google Scholar

[7] H. Chazono and H. Kishi: Jpn. J. Appl. Phys. Vol. 40 (2001), p.5624.

Google Scholar

[8] T. Oyama, N. Wada, H. Takagi and M. Yoshiya: submitted to Phys. Rev. B.

Google Scholar

[9] N. F. Mott and M. J. Littleton: Trans. Farad. Soc. Vol. 34 (1938), p.485.

Google Scholar

[10] G. Busker, A. Chroneos, R. W. Grims and I. -Wei Chen: J. Am. Ceram. Soc., Vol. 82 (1999), p.1553.

Google Scholar

[11] N. Ma, S. A. Degia and Y. Wang: Acta Mater. Vol. 51 (2003), p.3687. Fig. 6 Equilibrium concentration of VO • in GB region as a function of GB energy. Fig. 5 Local concentrations of VO • at GB and bulk regions in Σ5 (310) GB as a function of time.

Google Scholar