Sr and Ga substituted Ba2In2O5: Linking ionic conductivity and the potential energy surface

Solid State Ionics

Volumn 177, Issue 3-4, 2006, Pages 223-228

  Mohn, Chris E ^a   Allan, Neil L ^b   Stølen, Svein ^a  

^a UNIVERSITY OF OSLO   (Norway)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

Ba2In 2O5; DFT; Energy landscape; Ga substitution; Ionic conductivity; Modelling; Sr substitution

Indexed keywords

GALLIUM; IONIC CONDUCTION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; STRONTIUM;

ENERGY LANDSCAPE; RELATIVE ENERGIES; SR-SUBSTITUTION;

BARIUM COMPOUNDS;

EID: 31544435475     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2005.11.006     Document Type: Article

References (22)

1. A. Bosenick, M.T. Dove, E.R. Myers, E.J. Palin, C.I. Sainz-Diaz, B.S. Guiton, M.C. Warren, M.S. Craig, and S.A.T. Redfern Mineral. Mag. 2 2001 193
2. E. Bakken, N.L. Allan, T.H.K. Barron, C.E. Mohn, I.T. Todorov, and S. Stølen Phys. Chem. Chem. Phys. 5 2003 2237
3. C.E. Mohn, N.L. Allan, C.L. Freeman, P. Ravindran, and S. Stølen J. Solid State Chem. 178 2005 346
4. C.E. Mohn, N.L. Allan, C.L. Freeman, P. Ravindran, and S. Stølen Phys. Chem. Chem. Phys. 6 2004 3052
5. C.E. Mohn, and S. Stølen J. Chem. Phys. 123 2005 114104
6. S. Stølen, C.E. Mohn, P. Ravindran, and N.L. Allan J. Phys. Chem., B 109 2005 12362
7. K. Kakinuma, H. Yamamura, H. Haneda, and T. Atake Solid State Ionics 154-155 2002 571
8. T. Yao, Y. Uchimoto, M. Kinuhata, T. Inagaki, and H. Yoshida Solid State Ionics 132 2000 189
9. M.Y. Lavrentiev, N.L. Allan, G.D. Barrera, and J.A. Purton J Phys. Chem., B 105 2001 3594
10. I.T. Todorov, N.L. Allan, M.Y. Lavrentiev, C.L. Freeman, C.E. Mohn, and J.A. Purton J. Phys., Condens. Matter 16 2004 S2751
11. C.E. Mohn, M.Y. Lavrentiev, N.L. Allan, E. Bakken, and S. Stølen Phys. Chem. Chem. Phys. 7 2005 1127
12. G. Kresse, and J. Hafner Phys. Rev., B 47 1993 558
13. G. Kresse, and J. Joubert Phys. Rev., B 59 1999 1758
14. D.H. Gregory, and M.T. Weller J. Solid State Chem. 107 1993 134
15. P. Berastegui, S. Hull, F.J. Garcia-Garcia, and S.-G. Eriksson J. Solid State Chem. 164 2002 119
16. S.A. Speakman, J.W. Richardson, B.J. Mitchell, and S.T. Misture Solid State Ionics 149 2002 247
17. V. Caignaert, N. Nguyen, M. Hervieu, and B. Raveau Mater. Res. Bull. 20 1985 479
18. K.R. Poeppelmeier, M.E. Leonowicz, and J.M. Longo J. Solid State Chem. 44 1982 89
19. V. Kahlenberg, and C. Weidenthaler Solid State Sci. 4 2002 963
20. R. von Schenk, and H. Müller-Buschbaum Z. Anorg. Allg. Chem. 398 1973 24
21. I.D. Brown, and R.D. Shannon Acta Crystallogr., A 29 1973 266
22. A.F. Sammells, R.L. Cook, J.H. White, J.J. Osborne, and R.C. MacDuff Solid State Ionics 52 1992 111