Interpretation of the optical absorption spectrum of Co3O 4 with normal spinel structure from first principles calculations

Journal of Physics and Chemistry of Solids

Volumn 75, Issue 1, 2014, Pages 148-152

  Lima, A F ^a  

^a FEDERAL UNIVERSITY OF SERGIPE   (Brazil)

Author keywords

A. Co3O4 compound; B. DFT calculations; C. Cubic normal spinel and antiferromagnetic structure; D. Optical absorption spectrum

Indexed keywords

A. CO3O4 COMPOUND; ANTIFERROMAGNETIC STRUCTURES; CHARGE TRANSFER TRANSITIONS; CRYSTAL FIELD SPLITTINGS; DFT CALCULATION; EXCHANGE AND CORRELATION EFFECTS; FIRST-PRINCIPLES CALCULATION; MAGNETIC AND OPTICAL PROPERTIES;

CARBON DIOXIDE; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; LIGHT ABSORPTION; OPTICAL MATERIALS;

COBALT COMPOUNDS;

EID: 84886722382     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2013.08.015     Document Type: Article

References (25)

1. W. Li, L. Xu, and J. Chen Advanced Functional Materials 15 2005 851 857
2. Y. Li, B. Tan, and Y. Wu Nano Letters 8 2008 265 270
3. L. Hu, Q. Peng, and Y. Li Journal of the American Chemical Society 130 2008 16136 16137
4. X. Xie, Y. Li, Z.-Q. Liu, M. Haruta, and W. Shen Nature (London) 458 2009 746 749
5. W.L. Roth Journal of Physics and Chemistry of Solids 25 1964 1 10
6. A. Walsh, S.-H. Wei, Y. Yan, M.M. Al-Jassim, J.A. Turner, M. Woodhouse, and B.A. Parkinson Physical Review B 76 2007 165119 (9 pages)
7. I.D. Belova, Yu.E. Roginskaya, R.R Shifrina, S.G Oagarin, Yu.V. Plekhanov, and Yu.N. Venevtsev Solid State Communications 47 1983 577 584
8. K.M.E. Miedzinska, B.R. Hollebone, and J.G. Cook Journal of Physics and Chemistry of Solids 48 1987 649 656
9. K.J. Kim, and Y.R. Park Solid State Communications 127 2003 25 28
10. X.-L. Xu, Z.-H. Chen, Y. Li, W.-K. Chen, and J.-Q. Li Surface Science 2009 653 658
11. P. Homberg, and W. Kohn Physical Review 136 1964 B864 B871
12. W. Kohn, and L.J. Sham Physical Review 140 1965 A1133 A1138
13. J.P. Perdew, K. Burke, and M. Ernzerhof Physical Review Letters 77 1996 3865 3868
14. A.J. Cohen, P. Mori-Sanchez, and W. Yang Science 321 2008 792 794
15. V.I. Anisimov, J. Zaanen, and O.K. Andersen Physical Review B 44 1991 943 954
16. F. Tran, P. Blaha, K. Schwarz, and P. Novák Physical Review B 74 2006 155108 (10 pages)
17. F. Tran, and P. Blaha Physical Review Letters 102 2009 226401 (4 pages)
18. J. Chen, X. Wu, and A. Selloni Physical Review B 83 2011 245204 (7 pages)
19. F. Tran, and P. Blaha Physical Review B 83 2011 235118-13
20. V.R. Shinde, S.B. Mahadik, T.P. Gujar, and C.D. Lokhande Applied Surface Science 252 2006 7487 7492
21. D.J. Singh, and L. Nordstron Planewaves, Pseudopotentials and the LAPW Method second ed. 2006 Springer New York
22. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, and J. Luitz An Augmented Plane Waves+Local Orbital Program for Calculating Crystal Properties 2001 Karlheinz Schwarz, Techn. Universitat Wien Austria
23. L. Bai, M. Pravica, Y. Zhao, C. Park, Y. Meng, S.V. Signogeikin, and G. Shen Journal of Physics: Condensed Matter 24 2012 435401 (7 pages)
24. S. Hirai, and W.L. Mao Applied Physics Letters 102 2013 041912 (4 pages)
25. C. Ambrosch-Draxl, and J.O. Sofo Computer Physics Communications 175 2006 1 14