Local bonding analysis of the valence and conduction band features of TiO2

Journal of Applied Physics

Volumn 102, Issue 3, 2007, Pages

  Fleming, L ^a   Fulton, C C ^a   Lucovsky, G ^a   Rowe, J E ^a   Ulrich, M D ^a,b   Luning J ^c  

^a NORTH CAROLINA STATE UNIVERSITY   (United States)

^b U S ARMY RESEARCH OFFICE   (United States)

^c SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CONDUCTION BANDS; SYNCHROTRON RADIATION; VALENCE BANDS; X RAY PHOTOELECTRON SPECTROSCOPY;

CRYSTAL FIELDS; JAHN-TELLER SPLITTING; PEAK ASSIGNMENTS;

TITANIUM DIOXIDE;

EID: 34548100502     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2764004     Document Type: Article

References (33)

1. V. E. Henrich, G. Dresselhaus, and H. J. Zeiger, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.36.1335 36, 1335 (1976).
2. R. H. Tait and R. V. Kasowski, Phys. Rev. B 0163-1829 10.1103/PhysRevB.20.5178 20, 5178 (1979).
3. U. Diebold, Surf. Sci. Rep. 0167-5729 10.1016/S0167-5729(02)00100-0 48, 53 (2003).
4. J. G. Chen, Surf. Sci. Rep. 0167-5729 10.1016/S0167-5729(97)00011-3 30, 1 (1997).
5. E. Bertel, R. Stockbauer, and T. E. Madey, Surf. Sci. 0039-6028 10.1016/0039-6028(84)90137-7 141, 355 (1984).
6. Z. Zhang, S. -P. Jeng, and V. E. Henrich, Phys. Rev. B 0163-1829 10.1103/PhysRevB.43.12004 43, 12004 (1991).
7. A. G. Thomas, W. R. Flavell, A. K. Mallick, A. R. Kumarasinghe, D. Tsoutsou, N. Khan, C. Chatwin, S. Rayner, G. C. Smith, R. L. Stockbauer, S. Warren, T. K. Johal, S. Patel, D. Holland, A. Taleb, and F. Wiame, Phys. Rev. B 0163-1829 10.1103/PhysRevB.75.035105 75, 035105 (2007).
8. M. Houssa and M. M. Heyns, in High- κ Gate Dielectrics, edited by, M. Houssa, (IOP Publishing, Bristol, 2004).
9. G. D. Wilk, R. M. Wallace, and J. M. Anthony, J. Appl. Phys. 0021-8979 10.1063/1.1361065 89, 5243 (2001).
10. G. Lucovsky, H. Seo, S. Lee, L. B. Fleming, M. D. Ulrich, J. Lüning, P. Lysaght, and G. Bersuker, Jpn. J. Appl. Phys., Part 1 46, 1899 (2007). 0021-4922
11. S. Lee, G. Lucovsky, and J. Lüning, J. Vac. Sci. Technol. B (2007) (submitted).
12. D. A. Neumayer and E. Cartier, J. Appl. Phys. 0021-8979 10.1063/1.1382851 90, 1801 (2001).
13. G. B. Rayner, Jr., D. Kang, and G. Lucovsky, J. Vac. Sci. Technol. B 1071-1023 10.1116/1.1593646 21, 1783 (2003).
14. D. T. Cromer and K. Herrington, J. Am. Chem. Soc. 0002-7863 10.1021/ja01623a004 77, 4708 (1955).
15. V. W. H. Baur, Acta Crystallogr. 0365-110X 10.1107/S0365110X56001388 9, 515 (1956).
16. M. E. Straumanis, T. Ejima, and W. J. James, Acta Crystallogr. 0365-110X 10.1107/S0365110X61001571 14, 493 (1961).
17. L. A. Grunes, Phys. Rev. B 0163-1829 10.1103/PhysRevB.27.2111 27, 2111 (1983).
18. G. van der Laan, Phys. Rev. B 0163-1829 10.1103/PhysRevB.41.12366 41, 12366 (1990).
19. J. C. Woicik, E. J. Nelson, L. Kronik, M. Jain, J. R. Chelikowsky, D. Heskett, L. E. Berman, and G. S. Herman, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.89.077401 89, 077401 (2002).
20. F. A. Cotton, Chemical Applications of Group Theory, 2nd ed. (Wiley-Interscience, New York, 1971).
21. L. Fleming, M. D. Ulrich, and J. E. Rowe (unpublished).
22. L. Fleming, C. C. Fulton, M. D. Ulrich, G. Lucovsky, and J. E. Rowe (in preparation).
23. S. Sayan, E. Garfunkel, and S. Suzer, Appl. Phys. Lett. 0003-6951 10.1063/1.1450049 80, 2135 (2002).
24. C. C. Fulton, G. Lucovsky, and R. J. Nemanich, J. Vac. Sci. Technol. B 1071-1023 10.1116/1.1493785 20, 1726 (2002).
25. J. -J. Yeh, Atomic Calculations of Photoionization Cross Sections and Asymmetry Parameters (Gordon and Breach, Langhorne, PA, 1993).
26. P. A. Cox, Transition Metal Oxides (Oxford University Press, New York, 1992).
27. C. Sousa and F. Illas, Phys. Rev. B 0163-1829 10.1103/PhysRevB.50.13974 50, 13974 (1994).
28. G. Lucovsky, C. C. Fulton, Y. Zhang, Y. Zou, J. Luning, L. F. Edge, J. L. Whitten, R. J. Nemanich, H. Ade, D. G. Schlom, V. V. Afanase'v, A. Stesmans, S. Zollner, D. Triyoso, and B. R. Rogers, IEEE Trans. Device Mater. Reliab. 1530-4388 10.1109/TDMR.2005.845804 5, 65 (2005).
29. H. B. Gray, Chemical Bonds: An Introduction to Atomic and Molecular Structure (University Science Books, Mill Valley, CA, 1994).
30. C. J. Ballhausen and H. B. Gray, Molecular Orbital Theory (W. A. Benjamin, New York, 1965).
31. I. B. Bersuker, Electronic Structure and Properties of Transition Metal Compounds (John Wiley & Sons, New York, 1996).
32. G. Lucovsky and J. L. Whitten, in High Dielectric Constant Materials, edited by, H. R. Huff, and, D. C. Gilmer, (Springer, New York, 2005).
33. V. S. Lusvardi, M. A. Barteau, J. G. Chen, J. Eng, B. Frühberger, and A. Teplyakov, Surf. Sci. 0039-6028 10.1016/S0039-6028(97)00740-1 397, 237 (1998).