Self-assembly of point defects into clusters and defect-free regions: A simulation study of higher-valent substituted ferroelectric perovskites

Computational Materials Science

Volumn 29, Issue 1, 2004, Pages 67-75

  Zhang, R ^a,b   Li, J F ^a   Viehland, D ^a  

^a State University   (United States)

^b INTEL CORPORATION   (United States)

Author keywords

Defect clustering; Domains; Ferroelectrics

Indexed keywords

BARIUM TITANATE; COMPUTER SIMULATION; CORRELATION METHODS; ELECTROSTATICS; FERROELECTRIC MATERIALS; PEROVSKITE; SELF ASSEMBLY; TRANSMISSION ELECTRON MICROSCOPY;

DEFECT CLUSTERING;

POINT DEFECTS;

EID: 0242440128     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0927-0256(03)00096-X     Document Type: Article

References (37)

1. Swalin P. Thermodynamics of Solids. 1972;John Wiley and Sons, NewYork.
2. Guy A., Hren J. Elements of Physical Metallurgy. 1974;Addison-Wesley Publication Company, Reading, MA.
3. Roth W.L. Acta Cryst. 25:1969;140.
4. Koch F., Cohen J. Acta Cryst. 25:1969;275.
5. Mrowec S. Defects and Diffusion in Solids: An Introduction. 1980;Polish Scientific Publishers, Warszawa.
6. Khachaturyan A.G. Theory of Structural Phase Transformations in Solids. 1983;Wiley, New York, NY.
7. Bertaut E.F. Acta Cryst. 6:1953;557.
8. Greenwood N. Ionic Crystals, Lattice Defects, and Nonstoichiometry. 1968;Butterworth, London.
9. O'Keefe M. Proc. Brit. Ceram. Soc. 19:1971;1.
10. Jaffe B., Cook W., Jaffe H. Piezoelectric Ceramics. 1971;Academic Press, London.
11. X.H. Dai, PhD Dissertation, University of Illinois, Urbana, IL, 1995.
12. Q. Tan, PhD Dissertation, University of Illinois, Urbana, IL, 1998.
13. Kleemann W. Int. J. Mod. Phys. 7:1993;2469.
14. Imry Y., Ma S. Phys. Rev. Lett. 35:1975;1399.
15. Randall C., Barber D., Whatmore R. J. Microsc. 45:1987;275.
16. Xu Z., Kim M., Li J.F., Viehland D. Philos. Mag. A. 74:1996;395.
17. Lines M.E., Glass A.M. Principles and Applications of Ferroelectrics and Related Materials. 1977;Clarendon Press, Oxford.
18. Jona F., Shirane G. Ferroelectric Crystals. 1962;Pergamon Press, New York, NY.
19. Saburi O. J. Phys. Soc. Jpn. 14:1959;1159.
20. Tennery V., Cook R. J. Am. Ceram. Soc. 44:1961;187.
21. Yamaji A. J. Am. Ceram. Soc. 60:1977;97.
22. Shaikh A., Vest R. J. Am. Ceram. Soc. 69:1986;689.
23. Makovec D. J. Am. Ceram. Soc. 78:1995;2193.
24. Koschek G., Kubalek E. J. Am. Ceram. Soc. 68:1985;582.
25. Chan H., Harmer M.P., Smyth D. J. Am. Ceram. Soc. 69:1986;507.
26. Jonker G., Havinga E. Mater. Res. Bull. 17:1982;345.
27. Lewis G., Catlow R. J. Phys. C: Solid State Phys. 18:1985;1149.
28. Lewis G., Catlow R. J. Phys. Chem. Solids. 47:1986;89.
29. Wu T., Lin J. J. Am. Ceram. Soc. 77:1994;759.
30. Chan H., Smyth D. J. Am. Ceram. Soc. 67:1984;285.
31. Binder K., Landau D. Phys. Rev. B. 21:1980;1941.
32. Bursill L., Qian H., Peng J., Fan X. Physica B. 216:1995;1.
33. Wolfram S. Nature. 311:1984;419.
34. S. Wolfram, A New Kind of Science, 2002.
35. Khachaturyan A., Shatalov G. Sov. Phys. Sol. State. 11(1):1969;118.
36. Cross L.E. Ferroelectrics. 76:1987;249.
37. Levanyuk A.P., Sigov A.S. Defects and Structural Phase Transitions. 1988;Gordon and Breach Science Publishers, New York.