Computer simulation of PbMoO4 crystal with interstitial oxygen atoms

Computational Materials Science

Volumn 41, Issue 3, 2008, Pages 330-333

  Jianyu, Chen ^a   Qiren, Zhang ^a   Tingyu, Liu ^a   Zexu, Shao ^a   Chunying, Pu ^a  

^a UNIVERSITY OF SHANGHAI FOR SCIENCE AND TECHNOLOGY   (China)

Author keywords

Density of state; DV X ; Interstitial oxygen; PbMoO4

Indexed keywords

ABSORPTION SPECTRA; ATOMS; COMPUTER SIMULATION; CRYSTAL LATTICES; OXYGEN;

INTERSTITIAL OXYGEN; OXYGEN MOLECULAR IONS; PMO CRYSTAL;

LEAD COMPOUNDS;

EID: 37249066210     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2007.04.012     Document Type: Article

References (29)

1. Zeng H.C. J. Cryst. Growth 171 (1997) 136
2. Satoh T., Ohhara A., Fujii N., and Namikata T. J. Cryst. Growth 24/25 (1974) 441
3. Takano S., Esashi S., Mori K., and Namikata T. J. Cryst. Growth 24/25 (1974) 437
4. Minowa M., Itakura K., Moriyama S., and Ootani W. Nucl. Instrum. Meth. A 320 (1992) 500
5. Bochkova T.M., Volnyanskiǐ M.D., Volnyanskiǐ D.M., and Shchetinkin V.S. Phys. Solid State 45 (2003) 235
6. Senguttuvan N., Babu S.M., and Dhanasekaran R. Mater. Chem. Phys. 49 (1997) 120
7. Zeng H.C., Lim L.C., Kumagai H., and Hirano M. J. Cryst. Growth 171 (1997) 493
8. Lim L.C., Tan L.K., and Zeng H.C. J. Cryst. Growth 167 (1996) 686
9. Gourier D., Parant J.P., and Vivien D. Phys. Status. Solidi (b) 113 (1982) 509
10. Bonner W.A., and Zydzik G.J. J. Cryst. Growth 7 (1970) 65
11. Loiacono G.M., Balascio J.F., Bonner R., and Savage A. J. Cryst. Growth 21 (1974) 1
12. Oeder R., Scharmann A., Schwabe S., and Vitt B. J. Cryst. Growth 43 (1978) 537
13. Groenink J.A., and Blasse G. J. Solid State Chem. 32 (1980) 9
14. van Loo W. J. Solid State Chem. 14 (1975) 359
15. Bernhardt H.J. Phys. Status. Solidi (a) 45 (1978) 353
16. Bollmann W. Kristal und Technik 15 (1980) 367
17. Rigdon M.A., and Grace R.E. J. Am. Ceram. Soc. 56 (1973) 475
18. Azarbayejani G.H. J. Appl. Phys. 43 (1972) 3880
19. Loiacono G.M., Balascio J.F., Bonner R., and Savage A. J. Cryst. Growth 21 (1974) 1
20. Chen T., Liu T.Y., Zhang Q.R., et al. Phys. Status. Solidi (a) 204 (2007) 776
21. Mott N.F., and Littlelton M.J. Trans. Faraday Soc. 34 (1938) 485
22. Gale J.D. General Utility Lattice Program (1996), Imperial College, London
23. Gale J.D. Philos. Mag. B 73 (1996) 3
24. Lin Q., Feng X., and Man Z. Phys. Rev. B 63 (2001) 134105
25. Lewis G.V., and Catlow C.R.A. J. Phys. C 18 (1985) 1149
26. Zhang Y., Holzwarth N.A.W., and Williams R.T. Phys. Rev. B 57 (1998) 12738
27. Damen E.P.N., Dieleman D.J., Arts A.F.M., and de Wijn H.W. Phys. Rev. B 64 (2001) 174303
28. Brower W.S., and Fang P.H. Phys. Rev. 149 (1966) 646
29. Fang S.G., and Zhang Q.R. Physics of Color Centers in Crystals (1989), Shanghai Jiaotong University Press