First-principles study on the effects of point vacancies on the spectral properties of MgAl2O4

Solid State Communications

Volumn 151, Issue 1, 2011, Pages 29-32

  Jiang, Shengli ^a   Lu, Tiecheng ^a,b   Zhang, Jie ^a   Chen, Jun ^c  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

^c INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

Author keywords

A. MgAl2O4 spinel; B. Point defects; C. Electronic structures; D. Absorption spectra

Indexed keywords

A. MGAL2O4 SPINEL; ABSORPTION PEAKS; B. POINT DEFECTS; C. ELECTRONIC STRUCTURES; CHARGED OXYGEN VACANCIES; D. ABSORPTION SPECTRA; FIRST-PRINCIPLES STUDY; NEUTRAL OXYGEN VACANCY; OPTICAL TRANSITION MODEL; RED SHIFT; SPECTRAL PROPERTIES;

ABSORPTION; ABSORPTION SPECTRA; COLOR CENTERS; DEFECTS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LIGHT ABSORPTION; OXYGEN; VACANCIES;

OXYGEN VACANCIES;

EID: 78649451532     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2010.10.030     Document Type: Article

References (29)

1. K. Hamano, and S. Kanzaki J. Ceram. Soc. Japan 85 1977 225 230
2. A. Krell, J. Klimke, and T. Hutzler J. Eur. Ceram. Soc. 29 2009 275 281
3. A.F. Dericioglu, and Y. Kagawa J. Eur. Ceram. Soc. 23 2003 951 959
4. N. Fukatsu, N. Kurita, H. Shiga, Y. Murai, and T. Ohashi Solid State Ion. 152153 2002 809 817
5. N. Nuns, F. Bclin, and J. Crampon J. Am. Ceram. Soc. 92 2009 870 875
6. Y.M. Chiang, and W.D. Kingery J. Am. Ceram. Soc. 73 1990 1153 1158
7. J. He, L.B. Lin, T.C. Lu, and P. Wang Nucl. Instrum. Methods B 191 2002 596 599
8. G.P. Summers, G.S. White, K.H. Lee, and J.H. Crawford Phys. Rev. B 21 1979 2578 2584
9. L.S. Cain, G.J. Pogatshnik, and Y. Chen Phys. Rev. B 37 1987 2645
10. A. Ibarra, F.A. Garner, and G.L. Hollenberg J. Nucl. Mater. 219 1995 135 138
11. G.S. White, K.H. Lee, and J.H. Crawford Appl. Phys. Lett. 35 1979 1 3
12. T.C. Lu, X.H. Chang, J.Q. Qi, and X.J. Luo Appl. Phys. Lett. 88 2006 213120
13. J. Zhang, T.C. Lu, X.H. Chang, N. Wei, and W. Xu J. Phys. D: Appl. Phys. 42 2009 052002
14. R. Fedyk, D. Hreniak, and W. Lojkowski Opt. Mater. 29 2007 1252 1257
15. C. Wang, and Z. Zhao Scr. Mater. 61 2009 193 196
16. C.A. Gilbert, R. Smith, and S.D. Kenny J. Phys.: Condens. Matter 21 2009 275406
17. M.C. Warren, M.T. Dove, and S.A.T. Redfern J. Phys.: Condens. Matter 12 2000 L43 L48
18. H. Moriwake, I. Tanaka, F. Oba, Y. Koyama, and H. Adachi Phys. Rev. B 65 2002 153103
19. D. Bacorisen, R. Smith, and B.P. Uberuaga Phys. Rev. B 74 2006 214105
20. R.J. Hill, J.R. Graig, and G.V. Gibbs Phys. Chem. Miner. 4 1979 317 339
21. G. Kress, and J. Furthmuller Phys. Rev. B 54 1996 11169
22. R.C. Peterson, G.A. Lager, and R.L. Hitterman Am. Mineral. 76 1991 1455 1458
23. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865 3868
24. J. Chen, T.C. Lu, Y. Xu, A.G. Xu, and D.Q. Chen J. Phys.: Condens. Matter 20 2008 325212
25. M. Gajdo, K. Hummer, G. Kresse, J. Furthmller, and F. Bechstedt Phys. Rev. B 73 2006 045112
26. S.M. Hosseini Phys. Status Solidi (b) 245 2008 2800 2807
27. R. Khenata, M. Sahnoun, and H. Baltache Phys. Lett. A 344 2005 271 279
28. M.L. Bortz, R.H. French, D.J. Jones, R.V. Kasowski, and F.S. Ohuchi Phys. Scr. 41 1990 537 541
29. C. Ambrosch-Draxl, and J.O. Sofo Comput. Phys. Commun. 175 2006 1