Electronic structures of manganese-doped rutile TiO2 from first principles

Journal of Physical Chemistry C

Volumn 112, Issue 47, 2008, Pages 18677-18685

  Shao, G ^a  

^a UNIVERSITY OF BOLTON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; BAND STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; GALLIUM ALLOYS; MANGANESE COMPOUNDS; OXIDE MINERALS; OXYGEN; OXYGEN VACANCIES; POLARIZATION; RANDOM ACCESS STORAGE; SOLAR ENERGY; SOLIDS; SPIN DYNAMICS; SPIN POLARIZATION; TITANIUM OXIDES; VACANCIES;

CRYSTALLOGRAPHIC DATUMS; DEFECT LEVELS; ENERGY BAND STRUCTURES; EXCHANGE CORRELATIONS; FIRST PRINCIPLES; FORBIDDEN BANDS; INTERMEDIATE ENERGIES; LOCALIZED STATES; MN ATOMS; MN DOPING; MN SUBSTITUTIONS; NONVOLATILE RANDOM ACCESS MEMORIES; RUTILE TIO; SOLAR IRRADIANCES; SPINTRONIC APPLICATIONS; TI ATOMS; VISIBLE LIGHTS; WIDE SPECTRAL RANGES;

MANGANESE;

EID: 57549099820     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp8043797     Document Type: Article

References (37)

1. O'Regan, O.; Grätzel, M. Nature 1991, 353, 737.
2. Kay, A.; Grätzel, M. Sol. Energy Mater. Sol. Cells 1996, 44, 99.
3. Morrison S. R. Electrochemistry at Semiconductor and Oxidized Metal Electrodes; Plenum Press: New York, 1980.
4. Meng, Ni; Michael, K.H. Leung; Dennis, Y. C.; Leung, Sumathy K. Renewable Sustainable Energy Rev. 2007, 11, 401.
5. Ollis D. F.; Al-Ekabi H. Photocatalytic Purification and Treatment of Water and Air; Elsevier: Amsterdam, 1993.
6. Hoffmann, M. R.; Martins, S. T.; Choi, W.; Bahnemann, D. W. Chem. Rev. 1995, 95, 69.
7. An-Wu, Xu; Yuan, Gao; Han-Qin, Liu J. Catal. 2002, 207, 151.
8. Burdett, J. K.; et al., J. Am. Chem. Soc. 1987, 109, 3639.
9. Tang, H.; Le'vy, F.; Berger, H.; Schmid, P. E. Phys. Rev. B 1995, 52, 7771.
10. Kesong, Yang; Ying, Dai; Baibiao, Huang J. Phys. Chem. C 2007, 111, 12086.
11. Lan, Mi; Peng, Xu; Hong, Shen; Pei-Nan, Wang; Weidian, Shen Appl. Phys. Lett. 2007, 90, 171909.
12. Cristiana, Di Valentin; Emanuele, Finazzi; Gianfranco, Pacchioni; Annabella, Selloni; Stefano, Livraghi; Maria Cristina, Paganini; Elio, Giamello Chem. Phys. 2007, 339, 44.
13. Frédéric, Labat; Philippe, Baranek; Christophe, Domain; Christian, Minot; Carlo, Adamo J. Chem. Phys. 2007, 126, 154703.
14. Kesong, Yang; Ying, Dai; Baibiao, Huang J. Phys. Chem. C 2007, 111, 18985.
15. Nicholas, C. Wilson; Ian, E. Grey; Salvy, P. Russo J. Phys. Chem C 2007, 111, 10915.
16. Eunae, Cho; Seungwu, Han; Hyo-Shin, Ahn; Kwang-Ryeol, Lee; Seong, Keun Kim; Cheol, Seong Hwang Phys. Rev. B 2006, 73, 193202.
17. Glassford, K. M.; Chelikowsky, J. R. Phys. Rev. B 1992, 46, 1284.
18. Lee, C.; Ghosez, P.; Gonze, X. Phys. Rev. B 1994, 50, 13379.
19. Islam, M. M.; Bredow, T.; Gersonl, A. Phys. Rev. B 2007, 76, 045217.
20. Cronemeyer, D. C. Phys. Rev. 1959, 113, 1222.
21. Anpo, M.; Takeuchi, M. J. Catal. 2003, 216 (1-2), 505.
22. Dvoranová, D; Brezová, V; Mazúr, M; Malati, M A. Appl. Catal., B 2002, 37, 91.
23. Kohn, W.; Sham, L. J. Phys. Rev. 1965, A140, 1133.
24. Clark, S. J.; Segall, M. D.; Pickard, C. J.; Hasnip, P. J.; Probert, M. J.; Refson, K.; Payne, M. C. Z. Kristallogr. 2005, 220 (5-6), 567-570.
25. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
26. Wu, Z.; Cohen, R. E. Phys. Rev. B 2006, 73, 235116.
27. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868.
28. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1977, 16, 1748.
29. Gale W. F.; Totemeier T. C., Eds. Smithells Metals Reference Book, 8th ed.; Elsevier: New York, 2004.
30. Gray D. E., Ed. American Institute of Physics Handbook; McGraw-Hill: New York, 1972.
31. Villars P., Calvert, L.D., Ed. Pearson's Handbook of Crystallographic Data for Intermetallic Phases, 2nd ed.; ASM International: Materials Park, OH, 1991.
32. Xu, I. M.; Yu, Y. P.; Xing, X. J.; Wu, X. Y.; Li, S. W. Appl. Phys. A: Mater. Sci. Process. 2008, 92, 361.
33. Kim, K. J.; ParkY.R.; LeeJ.H.; Choi, S. L.; Lee, H. J.; Kim, C. S.; Park, J. Y. J. Magnet. Magnet. Mater. 2007, 316, e215.
34. Sangaletti, L; Mozzati, M. C.; Galinetto, P.; Azzoni, C. B.; Speghini, A.; Bettinelli, M.; Calestani, G J. Phys.: Condens. Matter 2006, 18, 7643.
35. Cronemeyer, D. C. Phys. Rev. 1959, 113, 1222.
36. Na-Phattalung, S.; Smith, M. F.; Kim, K.; Du, M. H.; Wei, S. H.; Zhang, S. B.; Limpijumnong, S. Phys. Rev. B 2006, 73, 125205.
37. Wolf, S. A.; Awschalom, D. D.; Buhrman, R. A.; Daughton, J. M.; von Molnár, S.; Roukes, M. L.; Chtchelkanova, A. Y.; Treger, D. M. Science 2001, 294, 1488.