Predicting the optical behaviour of EU3+ DOPED LINBO3 by computer modelling
Resumo
Computational simulation method is employed to study optical properties LiNbO3 induced by europium dopant. Atomistic modeling is used to predict the doping sites and charge-compensation schemes for LiNbO3:Eu systems. From this information used to calculate the parameters of the crystal field. Then calculated the transition of the energy levels for the Eu in LiNbO3 matrix and compared with experimental results.Referências
1. Jackson R A and Valerio M E G 2005 J. Phys.: Condens. Matter 17 837
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14. L. Arizmendi, F.Abella, and J.M. Cabrera, Ferroelectrics 56, 75 (1984).
15. L. Arizmendi and J.M. Cabrera, optical absortion, excitation, and emission spectra of Eu3+ in LiNbO3, 31 (1985).
2. Araujo R M, Lengyel K, Jackson R A, Kovacs L andValerio M E G 2007 J. Phys.: Condens. Matter 19 046211.
3. Amaral J B, dos Santos M C, Valerio M E G and Jackson R A, Appl. Phys. B 81, 841–846 (2005).
4. B.R. Judd: Phys. Rev. 127, 750 (1962).
5. G.S. Ofelt: J. Chem. Phys. 37, 511 (1962).
6. O.L. Malta: Chem. Phys. Lett. 88, 353 (1982)
7. P. Porcher, M.A. Couto dos Santos, O.L. Malta: Phys. Chem. Chem.Phys. 1, 397 (1999)
8. C.K. Jorgensen: Modern Aspects of Ligand Field Theory (North-Holland 1991)
9. B.R. Judd: Phys. Rev. 141, 4 (1966)
10. H.H. Marvin: Phys. Rev. 71, 102 (1947)
11. W.T. Carnall, G.L. Goodman, K. Rajnak, R.S. Rana: J. Chem. Phys. 90, 3443 (1989)
12. B.N. Figgis, Introduction to Ligand Fields, Interscience, New York, 1966.
13. G.K. Liu, see http: //chemistry.anl.gov/downloads/spectra.
14. L. Arizmendi, F.Abella, and J.M. Cabrera, Ferroelectrics 56, 75 (1984).
15. L. Arizmendi and J.M. Cabrera, optical absortion, excitation, and emission spectra of Eu3+ in LiNbO3, 31 (1985).
