Hydrogen atom pairs in diamond bulk and at the surface: Hybrid density functional theory and cluster models

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 23, 2003, Pages 2334021-2334024

  Anderson, Alfred B ^a   Kostadinov, Lubomir N ^a,c   Angus, John C ^b  

^a CASE WESTERN RESERVE UNIVERSITY   (United States)

^b Case Western Reserve University   (United States)

^c INSTITUTE OF PHYSICAL CHEMISTRY   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

DIAMOND; HYDROGEN;

ARTICLE; CRYSTAL; ENERGY TRANSFER; HYDROGEN BOND; SURFACE PROPERTY; THEORETICAL MODEL;

EID: 2442631491     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (15)

1. T. A. Claxton, A. Evans, and M. C. R. Symons, J. Chem. Soc., Faraday Trans. 2 82, 2031 (1986).
2. T. L. Estle, S. Estriecher, and D. S. Marynick, Phys. Rev. Lett. 58, 1547 (1987).
3. P. Briddon, R. Jones, and G. M. S. Lister, J. Phys. C 21, L1027 (1988).
4. S. P. Mehandru, A. B. Anderson, and J. C. Angus, J. Mater. Res. 7, 689 (1992).
5. J. P. Goss, R. Jones, M. I. Heggie, C. P. Ewels, P. R. Briddon, and S. Oberg, Phys. Rev. B 65, 115207 (2002).
6. D. Saada, J. Adler, and R. Kalish, Phys. Rev. B 61, 10711 (2000).
7. J. C. Angus, A. Argoitia, R. Gat, Z. Li, M. Sunkara, and L. Wang, Philos. Trans. R. Soc. London, Ser. A 342, 195 (1993).
8. J. E. Butler and R. L. Woodin, Philos. Trans. R. Soc. London, Ser. A 342, 205 (1993).
9. J. Chevallier, A. Lusson, B. Theys, A. Deneuville, and E. Gheeraert, Diamond Relat. Mater. 8, 278 (1999).
10. K. Kimura, K. Nakajima, S. Yamanaka, M. Hasegawa, and H. Okushi, Appl. Phys. Lett. 78, 1679 (2001).
11. A. V. Hamza, G. D. Kubiac, and R. H. Stulen, Surf. Sci. 237, 35 (1990).
12. H. Kawarada, H. Sasaki, and A. Sato, Phys. Rev. B 52, 11 351 (1995).
13. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challocombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, and J. A. Pople, GAUSSIAN 98 (Revision A.1) (1998) Gaussian, Inc., Pittsburgh.
14. T. V. Albu, A. B. Anderson, and J. C. Angus, J. Electrochem. Soc. 149, E143 (2002).
15. R. Stowasser and R. Hoffmann, J. Am. Chem. Soc. 121, 3414 (1999).