Electronic excitation and transient defects in AS2S3 glass

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 17, 2003, Pages 1742011-1742016

  Uchino, T ^a   Elliott, S R ^b  

^a KOBE UNIVERSITY   (Japan)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ARSENIC DERIVATIVE; GLASS; SULFUR DERIVATIVE;

ARTICLE; ATOMIC PARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; ELECTRONICS; MATHEMATICAL ANALYSIS; QUANTUM MECHANICS;

EID: 0037561484     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (25)

1. K. Shimakawa, A. Kolobov, and S. R. Elliott, Adv. Phys. 44, 475 (1995).
2. H. Fritzsche, in Insulating and Semiconducting Glasses, edited by P. Boolchand (World Scientific, Singapore, 2000).
3. M. A. Popescu, Non-Crystalline Chalcogenides (Kluwer Academic, Dordrecht, 2000).
4. T. Uchino, D. C. Clary, and S. R. Elliott, Phys. Rev. Lett. 85, 3305 (2000).
5. T. Uchino, D. C. Clary, and S. R. Elliott, Phys. Rev. B 65, 174204 (2002).
6. S. G. Bishop, U. Strom, and P. C. Taylor, Phys. Rev. Lett. 34, 1346 (1975).
7. K. Tanaka, in Structure and Excitation of Amorphous Solids, edited by G. Lucovsky and F. L. Galeener, AIP Conf. Proc. No. 31 (AIP, New York, 1976).
8. J. Li and D. A. Drabold, Phys. Rev. Lett. 85, 2785 (2000).
9. J. B. Foresman, H. Head-Gordon, J. A. Pople, and M. J. Frisch, J. Phys. Chem. 96, 135 (1992).
10. J. B. Foresman and H. B. Schlegel, in Molecular Spectroscopy: Recent Experimental and Computational Advances, Vol. 406 of NATO Advanced Study Institute, Series C, edited by R. Fausto (Kluwer Academic, Dordrecht, 1993).
11. C. Y. Yang, M. A. Paesler, and D. E. Sayers, Phys. Rev. B 36, 9160 (1987).
12. Y. Iwadate, T. Hattori, S. Nishiyama, K. Fukushima, Y. Mochizuki, M. Misawa, and T. Fukunaga, J. Phys. Chem. Solids 60, 1447 (1999).
13. M. O'Keeffe and G. V. Gibbs, J. Chem. Phys. 81, 876 (1984).
14. T. Uchino and T. Yoko, J. Chem. Phys. 108, 8130 (1998).
15. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
16. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
17. B. I. Greene, J. Orenstein, R. R. Millard, and L. R. Williams, in Ultrafast Phenomena V, edited by G. R. Fleming and A. E. Siegman (Springer-Verlag, Berlin, 1986).
18. X.-Y. Cui, I. Morrison, and J.-G. Han, J. Chem. Phys. 117, 1077 (2002).
19. P. C. Hariharan and J. A. Pople, Mol. Phys. 27, 209 (1974), and references therein. For As atoms, we used the (14s 11p 5d) basis set reported in T. H. Dunning, Jr., J. Chem. Phys. 66, 1382 (1977).
20. P. C. Hariharan and J. A. Pople, Mol. Phys. 27, 209 (1974), and references therein. For As atoms, we used the (14s 11p 5d) basis set reported in T. H. Dunning, Jr., J. Chem. Phys. 66, 1382 (1977).
21. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, 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. Challacombe, 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, Computer code GAUSSIAN 98, revision A7, Gaussian Inc., Pittsburgh, 1998.
22. P. N. Saeta and B. I. Greene, Phys. Rev. Lett. 70, 3588 (1993).
23. 1 state is concerned, the length of separation depends strongly on the size of the cluster employed, as well as the calculated level of theory, ranging from ∼3.4 to ∼3.8 Å.
24. R. A. Street, Solid State Commun. 24, 363 (1977).
25. K. Shimakawa and S. R. Elliott, Phys. Rev. B 38, 12 479 (1988).