Electron-phonon interactions in C28-derived molecular solids

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 14, 2004, Pages

  Romero, Nichols A ^a   Kim, Jeongnim ^b   Martin, Richard M ^a  

^a University of Illinois at Urbana Champaign   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI; FULLERENE;

AB INITIO CALCULATION; ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTRON; MOLECULAR INTERACTION; PHONON; SOLID; TRANSITION TEMPERATURE;

EID: 19944394495     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.140504     Document Type: Article

References (38)

1. T. T. M. Palstra, O. Zhou, Y. Iwasa, P. E. Sulewski, R. M. Fleming, and B. R. Zegarski, Solid State Commun. 93, 327 (1995).
2. C. M. Varma, J. Zaanen, and K. Raghavachari, Science 254, 989 (1991).
3. M. Schluter, M. Lannoo, M. Needels, G. A. Baraff, and D. Tománek, Phys. Rev. Lett. 68, 526 (1992).
4. I. I. Mazin, S. N. Rashkeev, V. P. Antropov, O. Jepsen, A. I. Liechtenstein, and O. K. Andersen, Phys. Rev. B 45, 5114 (1992).
5. V. P. Antropov, O. Gunnarsson, and A. I. Liechtenstein, Phys. Rev. B 48, 7651 (1993).
6. O. Gunnarsson, Rev. Mod. Phys. 69, 575 (1997).
7. V. H. Crespi, Phys. Rev. B 60, 100 (1999).
8. J. L. Martins, Europhys. News 23, 32 (1992).
9. T. Guo, R. E. Smalley, and G. E. Scuseria, J. Chem. Phys. 99, 352 (1993).
10. E. Kaxiras, K. Jackson, and M. R. Pederson, Chem. Phys. Lett. 225, 448 (1994).
11. Y. N. Makurin, A. A. Sofronov, A. I. Gusev, and A. L. Ivanovsky, Chem. Phys. 270, 292 (2001).
12. D. F. T. Tuan and R. M. Pitzer, J. Phys. Chem. 100, 6277 (1996).
13. N. Breda, R. A. Broglia, G. Coló, G. Onida, D. Provasi, and E. Vigezzi, Phys. Rev. B 62, 130 (2000).
14. D. M. Bylander and L. Kleinman, Phys. Rev. B 47, 10967 (1993).
15. E. Kaxiras, L. M. Zeger, A. Antonelli, and Y. M. Juan, Phys. Rev. B 49, 8446 (1994).
16. M. Côté, J. C. Grossman, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. 81, 697 (1998).
17. J. C. Grossman, S. G. Louie, and M. L. Cohen, Phys. Rev. B 60, R6941 (1999).
18. H. Kroto, Nature (London) 329, 529 (1987).
19. T. Guo, M. D. Diener, Y. Chai, M. J. Alford, R. E. Haufler, S. M. McClure, T. Ohno, J. H. Weaver, G. E. Scuseria, and R. E. Smalley, Science 257, 1661 (1992).
20. J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002).
21. P. Ordejón, E. Artacho, and J. M. Soler, Phys. Rev. B 53, R10441 (1996).
22. J. Kim, G. Galli, J. W. Wilkins, and A. Canning, J. Chem. Phys. 108, 2631 (1998).
23. O. Gunnarsson, S. Satpathy, O. Jepsen, and O. K. Andersen, Phys. Rev. Lett. 67, 3002 (1991).
24. D. Rainer, Prog. Low Temp. Phys. 10, 371 (1986).
25. S. J. Duclos, R. C. Haddon, S. Glarun, A. F. Hebbard, and K. B. Lyons, Science 254, 1625 (1991).
26. T. Pichler, M. Matus, J. Kürti, and H. Kuzmany, Phys. Rev. B 45, 13841 (1992).
27. M. Schluter, M. Lannoo, M. Needels, G. A. Baraff, and D. Tománek, J. Phys. Chem. Solids 53, 1473 (1992).
28. J. L. Martins and N. Troullier, Phys. Rev. B 46, 1766 (1992).
29. W. Andreoni, P. Giannozzi, and M. Parrinello, Phys. Rev. B 51, 2087 (1995).
30. S. Satpathy, V. P. Antropov, O. K. Andersen, O. Jepsen, O. Gunnarsson, and A. I. Liechtenstein, Phys. Rev. B 46, 1773 (1992).
31. 4 and bcc sodium metal, unless otherwise noted. Negative values for the enthalpy indicate that the compounds are stable with respect to the reference system.
32. J. L. Martins and N. Troullier, Phys. Rev. B 46, 1766 (1992).
33. When isolated molecules are the reference system, the enthalpy of reaction differs from the binding energy by only a minus sign.
34. W. C. McMillan, Phys. Rev. 167, 331 (1968).
35. G. M. Eliashberg, Zh. Eksp. Teor. Fiz. 38, 966 (1960).
36. M. S. Fuhrer, K. Cherrey, A. Zettl, M. L. Cohen, and V. H. Crespi, Phys. Rev. Lett. 83, 404 (1999).
37. 4, which are in the ratio 2:1, as discussed in the text.
38. K. Holczer, O. Klein, S. M. Huang, R. B. Kaner, K. J. Fu, R. L. Whetten, and F. Dieferich, Science 252, 1152 (1991).