Quantum chemical modelling of 'green' luminescence in self activated perovskite-type oxides

Solid State Communications

Volumn 126, Issue 5, 2003, Pages 301-304

  Eglitis, R I ^a   Trepakov, V A ^a,b   Kapphan, S E ^a   Borstel, G ^a  

^a UNIVERSITY OF OSNABRÜCK   (Germany)

^b IOFFE INSTITUTE   (Russian Federation)

Author keywords

C. Large unit cell method; D. Charge transfer vibronic exciton; E. Green luminescence

Indexed keywords

CHARGE TRANSFER; COMPUTER SIMULATION; EXCITONS; LUMINESCENCE;

QUANTUM CHEMICAL MODELLING;

PEROVSKITE;

EID: 0037402408     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0038-1098(03)00135-2     Document Type: Article

References (45)

1. Vikhnin V.S., Kapphan S.E. Phys. Solid State. 40:1998;834.
2. Grabner L. Phys. Rev. 177:1969;1315.
3. Leonelli R., Brebner J.L. Solid State Commun. 54:1985;505.
4. Hasegawa T., Shirai M., Tanaka K. J. Lumin. 87-89:2000;1217.
5. Aguilar M., Gonzalo C., Godefroy G. Ferroelectrics. 25:1980;467.
6. Ihring H., Hengst J.H.T., Klerk M. Z. Phys. B. 40:1981;301.
7. Popov A.I., Balazat E. Nucl. Instrum. Methods Phys. Res. B. 166-167:2000;305.
8. Yamaichi E., Watanabe K., Ohi K. J. Phys. Soc. Jpn. 57:1988;2201.
9. auf der Horst C., Magnien S., Kapphan S.E. Ferroelectrics. 185:1996;265.
10. Folkers H.F., Blasse G. Chem. Mater. 6:1994;969.
11. Koshek G., Kubalek E. Phys. Status Solidi A. 79:1983;131.
12. Blasse C. Mater. Res. Bull. 18:1983;525.
13. de Haart L.G., Vires A.J., Blaase C. J. Solid State Chem. 59:1985;291.
14. Trepakov V.A., Babinsky A.V., Vikhnin V.S. Izv. AN SSSR, Ser. Fiz. 51:1987;1711.
15. Vikhnin V.S., Eglitis R.I., Kapphan S.E., Kotomin E.A., Borstel G. Europhys. Lett. 56:2001;702.
16. Vikhnin V.S., Liu H., Jia W., Kapphan S., Eglitis R.I., Usvyat D. J. Lumin. 83-84:1999;109.
17. Cohen R.E. Nature (London). 358:1992;136.
18. Fu H., Cohen R.E. Nature (London). 403:2000;281.
19. Cohen R.E., Krakauer H. Phys. Rev. B. 42:1990;6416.
20. Steinle-Neumann G., Stixrude L., Cohen R.E., Gulseren O. Nature (London). 413:2001;57.
21. Zhong W., Vanderbildt D., Rabe K.M. Phys. Rev. Lett. 73:1994;1861.
22. Yu R., Krakauer H. Phys. Rev. Lett. 74:1995;4067.
23. Pople A., Beveridge D.L. Approximate Molecular Orbital Theory. 1970;McGraw-Hill, New York.
24. Shluger A.L., Stefanovich E.V. Phys. Rev. B. 42:1990;9664.
25. Stefanovich E., Shidlovskaya E., Shluger A.L., Zakharov M. Phys. Status Solidi B. 160:1990;529.
26. Eglitis R.I., Postnikov A.V., Borstel G. Phys. Rev. B. 54:1996;2421.
27. Eglitis R.I., Kotomin E.A., Borstel G. Phys. Status Solidi B. 208:1998;15.
28. Devreese J.T., Fomin V.M., Pokatilov E.P., Kotomin E.A., Eglitis R.I., Zhukovskii Y.F. Phys. Rev. B. 63:2001;184304.
29. Eglitis R.I., Kotomin E.A., Borstel G. J. Phys.: Condens. Matter. 14:2002;3735.
30. Eglitis R.I., Postnikov A.V., Borstel G. Phys. Rev. B. 55:1997;12976.
31. Eglitis R.I., Christensen N.E., Kotomin E.A., Postnikov A.V., Borstel G. Phys. Rev. B. 56:1997;8599.
32. Kotomin E.A., Eglitis R.I., Postnikov A.V., Borstel G., Christensen N.E. Phys. Rev. B. 60:1999;1.
33. Eglitis R.I., Kotomin E.A., Postnikov A.V., Christensen N.E., Korotin M.A., Borstel G. Ferroelectrics. 229:1999;69.
34. Kotomin E.A., Eglitis R.I., Popov A.I. J. Phys.: Condens. Matter. 9:1997;L315.
35. Eglitis R.I., Kotomin E.A., Borstel G. J. Phys.: Condens. Matter. 12:2000;L431.
36. Eglitis R.I., Kotomin E.A., Borstel G., Dorfman S. J. Phys.: Condens. Matter. 10:1998;6271.
37. Pinto H., Stashans A. Comput. Mater. Sci. 17:2000;73.
38. Stashans A. Mater. Chem. Phys. 68:2001;126.
39. Stashans A., Zambrano C., Sanchez A., Procel L.M. Int. J. Quantum Chem. 87:2002;145.
40. Evarestov R.A., Lovchikov V.A. Phys. Status Solidi B. 89:1977;743.
41. Evarestov R.A., Lovchikov V.A. Phys. Status Solidi B. 93:1979;469.
42. Evarestov R.A., Smirnov V.P. Site Symmetry in Crystals: Theory and Applications. 1997;Springer, Berlin.
43. Vikhnin V.S., Eglitis R.I., Kapphan S.E., Borstel G., Kotomin E.A. Phys. Rev. B. 65:2002;104304.
44. Kotomin E.A., Eglitis R.I., Borstel G. J. Phys.: Condens. Matter. 12:2000;L557.
45. Eglitis R.I., Kotomin E.A., Borstel G. Mater. Res. Soc. Symp. Proc. 667:2000;G181.