First-principles calculations of the CaF2 bulk and surface electronic structure

Physica Status Solidi (B) Basic Research

Volumn 242, Issue 10, 2005, Pages 2041-2050

  Shi, H ^a   Eglitis, R I ^a   Borstel, G ^a  

^a UNIVERSITY OF OSNABRÜCK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 23944497832     PISSN: 03701972     EISSN: None     Source Type: Journal    
DOI: 10.1002/pssb.200540069     Document Type: Article

References (27)

1. M. Verstraete and X. Gonze, Phys. Rev. B 68, 195123 (2003).
2. G. W. Rubloff, Phys. Rev. B 5, 662 (1972).
3. J. Barth, R. L. Johnson, M. Cardona, D. Fuchs, and A. M. Bradshaw, Phys. Rev. B 41, 3291 (1990).
4. F. Gan, Y. Xu, M. Juang, and W. Y. Ching, Phys. Rev. B 45, 8248 (1992).
5. W. Y. Chiang, F. Gan, and M. Huang, Phys. Rev. B 52, 1596 (1995).
6. M. Catti, R. Dovesi, A. Pavese, and V. R. Saunders, J. Phys.: Condens. Matter 3, 4151 (1991).
7. A. S. Foster, C. Barth, A. L. Shluger, R. M. Nieminen, and M. Reichling, Phys. Rev. B 66, 235417 (2002).
8. A. Jockisch, U. Schröder, F. W. Wette, and W. Kress, J. Phys.: Condens. Matter 5, 5401 (1993).
9. V. E. Puchin, A. V. Puchina, M. Huising, and M. Reichling, J. Phys.: Condens. Matter 13, 5401 (1993).
10. M. Merawa, M. Lunell, R. Orlando, M. Gelize-Duvignau, and R. Dovesi, Chem. Phys. Lett. 368, 7 (1998).
11. A. V. Puchina, V. E. Puchin, E. A. Kotomin, and M. Reichling, Solid State Commun. 106, 285 (1998).
12. R. W. G. Wyckoff, Crystal Structures, 9th ed. (Interscience/John Wiley, New York, 1963), Vol. 1.
13. P. Camy, J. L. Doualan, S. Renard, A. Braud, V. Menard, and R. Moncorge, Opt. Commun. 236, 395 (2004).
14. G. A. Kumar, R. Riman, S. C. Chae, Y. N. Yang, I. K. Bae, and H. S. Moon, J. Appl. Phys. 95, 3243 (2004).
15. T. Tsujibayashi, K. Toyoda, S. Sakuragi, M. Kamada, and M. Itoh, Appl. Phys. Lett. 80, 2883 (2002).
16. V. R. Saunders, R. Dovesi, C. Roetti, M. Causa, N. M. Harrison, R. Orlando, and C. M. Zicovich-Wilson, CRYSTAL-2003 User Manual, University of Torino, Italy (2003).
17. M. Causa and A. Zupan, Chem. Phys. Lett. 220, 145 (1994).
18. H. B. Schlegel, J. Comput. Chem. 3, 214 (1982).
19. B. Civalleri, P. D'Arco, R. Orlando, V. R. Saunders, and R. Dovesi, Chem. Phys. Lett. 348, 131 (2001).
20. C. Pisani (ed.), Quantum-Mechanical Ab-initio Calculations of the Properties of Crystalline Materials, Vol. 67 of Lecture Notes in Chemistry (Springer, Berlin, 1996).
21. J. Muscat, A. Wander, and N. M. Harrison, Chem. Phys. Lett. 342, 397 (2001).
22. E. Heifets, R. I. Eglitis, E. A. Kotomin, J. Maier, and G. Borstel, Phys. Rev. B 64, 235417 (2001).
23. E. Heifets, R. I. Eglitis, E. A. Kotomin, J. Maier, and G. Borstel, Surf. Sci. 513, 211 (2002).
24. R. I. Eglitis, S. Piskunov, E. Heifets, E. A. Kotomin, and G. Borstel, Ceram. Int. 30, 1989 (2004).
25. J. Padilla and D. Vanderbilt, Surf. Sci. 418, 64 (1998).
26. J. Padilla and D. Vanderbilt, Phys. Rev. B 56, 1625 (1997).
27. J. J. Gilman, J. Appl. Phys. 31, 2208 (1960).