DFT study on electronic structure and optical properties of N-doped, S-doped, and N/S co-doped SrTiO 3

Physica B: Condensed Matter

Volumn 407, Issue 24, 2012, Pages 4649-4654

  Zhang, Chao ^a,b   Jia, Yongzhong ^b   Jing, Yan ^b   Yao, Ying ^b   Ma, Jun ^b   Sun, Jinhe ^b  

^a UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^b QINGHAI INSTITUTE OF SALT LAKES   (China)

Author keywords

Electronic structure; First principles; N S co doping; Optical properties; SrTiO 3

Indexed keywords

BAND STRUCTURE CALCULATION; CO-DOPED; CO-DOPING; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT STUDY; ELECTRON HOLE; ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES; FIRST PRINCIPLES; IMPURITY STATE; N-DOPED; PHOTOCATALYTIC EFFICIENCY; PHOTORESPONSES; S-DOPED; SRTIO; VISIBLE LIGHT;

DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; ENERGY GAP; OPTICAL PROPERTIES;

STRONTIUM TITANATES;

EID: 84868376778     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2012.08.038     Document Type: Article

References (19)

1. T. Puangpetch, T. Sreethawong, S. Yoshikawa, and S. Chavadej J. Mol. Catal. A: Chem. 287 2008 70
2. J.M. Herrmann Catal. Today 53 1999 115
3. M. Ashokkumar Int. J. Hydrogen Energy 23 1998 427
4. J.Y. Lee, J. Park, and J.H. Cho Appl. Phys. Lett. 87 2005 11904
5. M. Batzill, E.H. Morales, and U. Diebold Phys. Rev. Lett. 96 2006 26103
6. J.S. Wang, Y. Shu, M. Komatsu, Q. Zhang, F. Saito, and T. Sato J. Photochem. Photobiol. A 165 2004 149
7. T. Ohno, T. Tsubota, Y. Nakamura, and K. Sayama Appl. Catal. A 288 2005 74
8. J.S. Wang, H. Li, H.L. Li, Y. Shu, and T. Sato Solid State Sci. 11 2009 182
9. Y.Y. Mi, S.J. Wang, and Y.P. Feng Appl. Phys. Lett. 89 2006 231922
10. Jiawen Liu, Lu Wang, Jihong Liu, Tianchi Wang, Weili Qu, and Zhonghua Li Cent. Eur. J. Phys. 7 2009 762
11. M.D. Segall J. Phys.: Condens. Matter 14 2002 2717
12. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais Phys. Rev. B 46 1992 6671
13. D. Vanderbilt Phys. Rev. B 41 1990 7892
14. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
15. R. Long, and J. Niall Chem. Mater 22 2010 1616
16. J.S. Wang, Y. Shu, M. Komatsua, and T Sato J. Eur. Ceram. Soc. 2005 3207
17. W. Wei, Y. Dai, M. Guo, L. Yu, and B.B. Huang J. Phys. Chem. C 113 2009 15046
18. A. Jia, X. Liang, Z. Su, T. Zhu, and S. Liu J. Hazard. Mater 178 2010 233
19. T. Ohno, T. Tsubota, Y. Nakamura, and K. Sayama Appl. Catal. A 288 2005 74