The atomistic structures of MgO/SrTiO3(001) and BaO/SrTiO3(001) using simulated amorphization and recrystallization

Journal of Physical Chemistry B

Volumn 105, Issue 23, 2001, Pages 5506-5514

  Sayle, Dean C ^a   Watson, Graeme W ^b  

^a CRANFIELD UNIVERSITY   (United Kingdom)

^b TRINITY COLLEGE DUBLIN   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC STRUCTURES; BARIUM OXIDE; SIMULATED AMORPHIZATION; STRONTIUM TITANATE;

AMORPHIZATION; ASSOCIATION REACTIONS; BARIUM COMPOUNDS; COMPUTER SIMULATION; CRYSTAL LATTICES; CRYSTALLIZATION; DISLOCATIONS (CRYSTALS); INTERFACES (MATERIALS); LATTICE CONSTANTS; MAGNESIA; PHASE TRANSITIONS; STRONTIUM COMPOUNDS;

CRYSTAL ATOMIC STRUCTURE;

EID: 0035859443     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0034325     Document Type: Article

References (26)

1. Sutton, A. P.; Balluffi, R. W. Interfaces in Crystalline materials; Monographs on the Physics and Chemistry of Materials 51; Oxford University Press, Inc.: New York, 1985.
2. Baker, J.; Lindgard, P. A. Phys. Rev. B 1999, 60, 16941.
3. Sayle, D. C.; Maicaneanu, S. A.; Slater, B.; Catlow, C. R. A. J. Mater. Chem. 1999, 9, 2779.
4. Kawasaki, M.; Takahashi, K.; Maeda, T.; Tsuchiya, R.; Shinohara, M.; Ishiyama, O.; Yonezawa, T.; Yoshimoto, M.; Koinuma, H. Science 1994, 266, 1540.
5. Sayle, D. C.; Watson, G. W. Surf. Sci. 2001, 473, 97.
6. Philos. Mag. B 1996, 73. Special edition ("Interatomic Potentials").
7. Ewald, P. P. Ann. Phys. 1921, 64, 253.
8. Lewis, G. V.; Catlow, C. R. A. J. Phys. C: Solid State Phys. 1985, 18, 1149.
9. Sayle, D. C.; Sayle, T. X. T.; Parker, S. C.; Catlow, C. R. A.; Harding, J. H. Phys. Rev. B 1994, 50, 14498.
10. Watson, G. W.; Kelsey, E. T.; Parker, S. C. Philos. Mag. A 1999, 79, 527.
11. Harris, D. J.; Watson, G. W.; Parker, S. C. Philos. Mag. A 1996, 74, 407.
12. Sayle, D. C.; Watson, G. W. J. Mater. Chem. 2000, 10, 2241.
13. Kenway, P. R.; Oliver, P. M.; Parker, S. C.; Sayle, D. C.; Sayle, T. X. T.; Titiloye, J. O. Mol. Simul. 1992, 9, 83.
14. DL_POLY is a package of molecular simulation routines written by W. Smith and T. R. Forester. Copyright: The Council for the Central Laboratory of the Research Councils, Daresbury Laboratory, Daresbury, Warrington, UK, 1996.
15. Grzybowski, A.; Gwozdz, E.; Brodka, A. Phys. Rev. B 2000, 61, 6706.
16. Schnitker, J.; Srolovitz, D. J. Model. Simul. Mater. Sci. Eng. 1998, 6, 153.
17. Jain, S. C.; Harker, A. H.; Cowley, R. A. Philos. Mag. A 1997, 75, 1461.
18. Dong, L.; Schnitker, J.; Smith, R. W.; Srolovitz, D. J. J. Appl. Phys. 1998, 83, 217.
19. Levay, A.; Mobus, G.; Vitek, V.; Ruhle, M.; Tichy, G. Acta Mater. 1999, 47, 4143.
20. Sayle, D. C.; Catlow, C. R. A.; Harding, J. H.; Healy, M. J. F.; Maicaneanu, S. A.; Parker, S. C.; Slater, B.; Watson, G. W. J. Mater. Chem. 2000, 10, 1315.
21. Chern, G.; Cheng, C. J. Vac. Sci. Technol. A 1999, 17, 1097.
22. Sutton, A. P.; Balluffi, R. W. Acta Metal. 1987, 35, 2177.
23. Stampe, P. A.; Kennedy, R. J. J. Cryst. Growth 1998, 191, 478.
24. Moller, P. J.; Komolov, S. A.; Lazneva, E. F. Surf. Sci. 1999, 425, 15.
25. Recio, J. M.; Pandey, R.; Ayuela, A.; Kunz, A. B. J. Chem. Phys. 1993, 98, 4783.
26. Rabier, J.; Puls, M. P. Philos. Mag. A 1985, 52, 461.