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Atomic and Electronic Structure of the Corundum (0001) Surface

Published online by Cambridge University Press:  15 February 2011

V. E. Puchin
Affiliation:
University of Latvia, Rainis blvd. 19, Riga, LV-1586, Latvia
E. A. Kotomin
Affiliation:
University of Latvia, Rainis blvd. 19, Riga, LV-1586, Latvia
A. L. Shluger
Affiliation:
Centre for Materials Research, Department of Physics, University College London, Gower St., London WC1E 6BT, U.K.
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Abstract

The electronic structure and geometry of the Al terminated corundum (0001) surface were studied using a slab model within the ab-initio Hartree-Fock technique. The distance between the top Al plane and the next O basal plane is found to be considerably reduced on relaxation (by 0.57 Å, i.e. by 68% of the corresponding interlayer distance in the bulk). An interpretation of experimental photoelectron spectra (UPS Hel) and metastable impact electron spectra (MIES) is given. Calculated projected densities of states exhibit a strong dependence on the relaxation of surface atoms.

Type
Research Article
Copyright
Copyright © Materials Research Society 1997

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References

1. Science of Alumina (French, R. H., Heuer, A. H.. Eds.) J. Am. Ceram. Soc. 77, 292453 (1994)CrossRefGoogle Scholar
2. Tasker, P. W., Adv. Ceram. 10, 176–89 (1988)Google Scholar
3. Mackrodt, W. C., J. Chem. Soc. Faraday Trans. 2, 85, 541 (1989);CrossRefGoogle Scholar
Mackrodt, W. C., Phil. Trans. R. Soc. A, 341, 301 (1992)Google Scholar
4. Pisani, C., Causà, M., Dovesi, R., Roetti, C., Progr. Surf. Sci. 25, 119 (1987);CrossRefGoogle Scholar
Causa, M., Dovesi, R., Pisani, C., Roetti, C., Surf. Sci. 215, 259 (1989);CrossRefGoogle Scholar
Salasco, L., Dovesi, R., Orlando, R., Causà, M., Saunders, V. R., Mol. Phys. 72, 267 (1991)CrossRefGoogle Scholar
5. Manassidis, I., De Vita, A., Gillan, M. J., Surf. Sci. Lett. 285, L517 (1993);Google Scholar
Manassidis, I., Gillan, M. J., J. Am. Ceram. Soc. 11, 335 (1994)CrossRefGoogle Scholar
6. Ochs, D., Brause, M., Günster, J., Maus-Friedrichs, W., Kempter, V., Puchin, V. E., Kantorovich, L. N., Shluger, A. L., Surf. Sci. (1996) in press.Google Scholar
7. Hitzke, A., Günster, J., Kolaczkiewicz, J., Kempter, V., Surf Sci. 318, 139 (1994);CrossRefGoogle Scholar
8. Günster, J., Hitzke, A., Brause, M., Mayer, Th., Kempter, V., Nucl. Instr. Meth. B, 100, 411 (1995);CrossRefGoogle Scholar
9. Günster, J., Dissertation, TU Clausthal (1996), ISBN 3–931443–62–0Google Scholar
10. Chen, P. J., Goodman, D. W., Surf. Sci. 312, L767 (1994)CrossRefGoogle Scholar
11. Pisani, C., Dovesi, R., Roetti, C., Hartree-Fock Ab-initio Treatment of Crystalline Systems, Lecture Notes in Chemistry, Vol. 48, Springer Verlag, Heidelberg, 1988;CrossRefGoogle Scholar
Dovesi, R., Saunders, V. R., Roetti, C., CRYSTAL-92 User Manual, QCPE program n. 577, Bloomington, Indiana, 1989.Google Scholar
12. Mackrodt, W. C. (to be published);Google Scholar
Gale, J. D., Catlow, C. R. A. and Mackrodt, W. C., Modelling Simul. Mater. Sci. Eng. 1, 73 (1992)CrossRefGoogle Scholar
13. Puchin, V. E., Gale, J. D., Shluger, A. L., Kotomin, E. A., Günster, J., Brause, M., Kempter, V., Surf. Sci. (in press).Google Scholar

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