Effects of doped acceptor ions on proton diffusion in perovskite oxides: A first-principles molecular-dynamics simulation

Journal of Physics Condensed Matter

Volumn 10, Issue 2, 1998, Pages 285-294

  Shimojo, Fuyuki ^a   Hoshino, Kozo ^a   Okazaki, Hideo ^b  

^a HIROSHIMA UNIVERSITY   (Japan)

^b NIIGATA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001439140     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/10/2/007     Document Type: Article

References (20)

1. Iwahara H, Esaka T, Uchida H and Maeda N 1981 Solid State Ion. 3/4 359
2. Iwahara H 1992 Proton Conductors: Solids, Membranes and Gels - Materials and Devices ed P Colomban (Cambridge: Cambridge University Press) p 122
3. Kreuer K D 1996 Chem. Mater. 8 610
4. Sata N, Hiramoto K, Ishigame M, Hosoya S, Niimura N and Shin S 1996 Phys. Rev. B 54 15 795
5. Bates J B, Wang J C and Perkins R A 1979 Phys. Rev. B 19 4130
6. Cherry M, Islam M S, Gale J D and Catlow C R A 1995 Solid State Ion. 77 207
7. Shah R, De Vita A and Payne M C 1995 J. Phys.: Condens. Matter 7 6981
8. Shah R, De Vita A, Heine V and Payne M C 1996 Phys. Rev. B 53 8257
9. Shimojo F, Hoshino K and Okazaki H 1996 J. Phys. Soc. Japan 65 1143
10. Shimojo F, Hoshino K and Okazaki H 1997 J. Phys. Soc. Japan 66 8
11. Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566 Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
12. Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566 Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
13. Arias T A, Payne M C and Joannopoulos J D 1992 Phys. Rev. B 45 1538
14. Kresse G and Hafner J 1994 Phys. Rev. B 49 14 251
15. Shimojo F, Zempo Y, Hoshino K and Watabe M 1995 Phys. Rev. B 52 9320
16. Hamann D R, Schlüter M and Chiang C 1979 Phys. Rev. Lett. 43 1494
17. Vanderbilt D 1990 Phys. Rev. B 41 7892
18. Nosé S 1984 Mol. Phys. 52 255
19. Hoover W G 1985 Phys. Rev. A 31 1695
20. Wyckoff R W G 1964 Crystal Structures vol 2 (New York: Interscience)