A-Site Diffusion in La1-xSrxMnO3: Ab Initio and Kinetic Monte Carlo Calculations

Journal of the Electrochemical Society

Volumn 160, Issue 8, 2013, Pages F877-F882

  Puchala, B ^a   Morgan, D ^a   Lee, Y L ^b  

^a University of Wisconsin Madison   (United States)

^b USA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85016870629     PISSN: 00134651     EISSN: 19457111     Source Type: Journal    
DOI: 10.1149/2.077308jes     Document Type: Article

References (32)

1. W. Donner et al., Chem. Mater., 23, 984 (2011).
2. M. J. Gadre, Y.-L. Lee, and D. Morgan, Phys. Chem. Chem. Phys., 14, 2606 (2012).
3. N. Caillol, M. Pijolat, and E. Siebert, Appl. Surf. Sci., 253, 4641 (2007).
4. M. P. de Jong et al., J. Appl. Phys., 94, 7292 (2003).
5. H. Dulli et al., Phys. Rev. B, 62, R14629 (2000).
6. T.T. Fister et al., Appl. Phys. Lett., 93, 151904 (2008).
7. S. Jiang and J. G. Love, Solid State Ionics, 138, 183 (2001).
8. H. Kumigashira et al., Appl. Phys. Lett., 82, 3430 (2003).
9. Q. Wu, M. Liu, and W. Jaegermann, Mater. Lett., 59, 1480 (2005).
10. M. Kubicek, et al., J. Electrochem. Soc., 158, B727 (2011).
11. D. Oh, D. Gostovic, and E. D. Wachsman, J. Mater. Res., 27, 1982 (2012).
12. E. Crumlin, etal., Energy Environ. Sci., 5, 6081 (2012).
13. Z. Cai, et al., Chem.Mater., 24, 1116 (2012).
14. K.-C. Chang et al., In Mater. Res. Soc. Symp. Proc., 1126, S08 (2009).
15. H. Yokokawa etal., J. Alloys Compd., 452, 41 (2008).
16. S. Miyoshi and M. Martin, Phys. Chem. Chem. Phys., 11, 3063 (2009).
17. M. Martin, J. Chem. Thermodyn., 35, 1291 (2003).
18. R.A. De Souza, M.S. Islam, and E. Ivers-Tiffée, J. Mater. Chem., 9, 1621 (1999).
19. P. Hohenberg and W. Kohn, Phys. Rev., 136, B864 (1964).
20. G. Kresse and J. fürthmuller, Phys.Rev. B, 54, 11169-11186 (1996).
21. G. Kresse and J. Hafner, Phys. Rev. B, 47, 558 (1993).
22. P. Blochl, Phys. Rev. B, 50, 17953 (1994).
23. J. P. Perdew and Y. Wang, Phys. Rev. B, 45, 13244 (1992).
24. Y.-L. Lee et al., Phys. Rev. B, 80, 224101 (2009).
25. Y.-L. Lee and D. Morgan, Phys. Chem. Chem. Phys., 14, 290 (2012).
26. A. Bortz, M. Kalos, and J. Lebowitz, J. Comput. Phys., 17, 10 (1975).
27. A. Van der Ven et al., Prog. Mater. Sci., 55, 61 (2010).
28. L. K. Moleko, A. R. Allnatt, and E. L. Allnatt, Philos. Mag. A, 59, 141 (1989).
29. A. Van der Ven et al., Phys. Rev. B, 64, 184307 (2001).
30. F. Poulsen, Solid State Ionics, 129, 145 (2000).
31. A. Van der Ven et al., Phys. Rev. B, 78, 104306 (2008).
32. J. R. Manning, Diffusion Kinetics for Atoms in Crystals, D. Van Nostrand Company, Inc., Princeton, New Jersey (1968).