Polycubanes linked with C 2, N 2, NO, and NS: From insulating to metallic behavior

Physical Review B - Condensed Matter and Materials Physics

Volumn 71, Issue 3, 2005, Pages

  Valencia, F ^a   Romero, A H ^a   Kiwi, M ^b   Ramirez R ^b   Toro Labbe, A ^b  

^a INSTITUTO POTOSINO DE INVESTIGACIÓN CIENTÍFICA Y TECNOLÓGICA   (Mexico)

^b PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CUBANE DERIVATIVE; HYDROGEN;

ARTICLE; ATOM; CALCULATION; CROSS LINKING; DENSITY; ELECTRON; GEOMETRY; MATHEMATICAL ANALYSIS; SEMICONDUCTOR; STRUCTURE ANALYSIS;

EID: 15444379021     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.71.033410     Document Type: Article

References (28)

1. P. E. Eaton and T. W. Cole, J. Am. Chem. Soc. 86, 962 (1964).
2. E. B. Fleischer, J. Am. Chem. Soc. 86, 3889 (1964).
3. L. Hedberg, K. Hedberg, P. E. Eaton, N. Nodari, and A. G. Robiette, J. Am. Chem. Soc. 113, 1514 (1991).
4. P. E. Eaton, K. Pramod, T. Emrick, and R. Gilardi, J. Am. Chem. Soc. 121, 4111 (1999).
5. K. Miaskiewicz and D. A. Smith, Chem. Phys. Lett. 270, 376 (1997).
6. J. M. Schulman, C. R. Fischer, P. Solomon, and T. J. Venanzi, J. Am. Chem. Soc. 100, 2949 (1978).
7. J. Almfof and T. Jonvik, Chem. Phys. Lett. 92, 267 (1982).
8. B. Herrera and A. Toro-Labbé, Chem. Phys. Lett. 344, 193 (2001).
9. T. Yildirim, C. Kiliç, S. Ciraci, P. M. Gehring, D. A. Neumann, P. E. Eaton, and T. Emrick, Chem. Phys. Lett. 309, 234 (1999).
10. T. Yildirim, P. M. Gehring, D. A. Neumann, P. E. Eaton, and T. Emrick, Carbon 36, 809 (1998).
11. T. Yildirim, S. Ciraci, Ç. Kiliç, and A. Buldum, Phys. Rev. B 62, 7625 (2000).
12. S. L. Richardson and J. L. Martins, Phys. Rev. B 58, 15 307 (1998).
13. T. Yildirim, P. M. Gehring, D. A. Neumann, P. E. Eaton, and T. Emrick, Phys. Rev. Lett. 78, 4938 (1997).
14. T. Yildirim, P. M. Gehring, D. A. Neumann, P. E. Eaton, and T. Emrick, Phys. Rev. B 60, 314 (1999).
15. C. Goh, B. M. Segal, J. Huang, J. R. Long, and R. H. Holm, J. Am. Chem. Soc. 118, 11844 (1996).
16. J.-P. Lang, H. Kawaguchi, and K. Tatsumi, Chem. Commun. (Cambridge) 9, 2315 (1999).
17. P. E. Eaton, R. L. Gilardi, and M.-X. Zhang, Adv. Mater. (Weinheim, Ger.) 12, 1143 (2000).
18. D. A. Hrovat, W. T. Borden, P. E. Eaton, and B. Kahr, J. Am. Chem. Soc. 123, 1289 (2001).
19. J. Zhang and J. Xiao, Int. J. Quantum Chem. 86, 305 (2002).
20. P. E. Eaton, Angew. Chem. 31, 1421 (1992).
21. P. E. Eaton, K. Pramod, T. Emrick, and R. Gilardi, J. Am. Chem. Soc. 121, 4111 (1999).
22. F. Valencia, A. H. Romero, M. Kiwi, R. Ramirez, and A. Toro-Labbé, J. Chem. Phys. 121, 9172 (2004).
23. S. Baroni, A. Dal Corso, S. de Gironcoli, and P. Giannozzi, http:// www.pwscf.org
24. D. Vanderbilt, Phys. Rev. B 41, R7892 (1990).
25. J. P. Perdew, J. A. Chevari, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and F. Carlos, Phys. Rev. B 46, 6671 (1992).
26. A. B. Kaiser, Rep. Prog. Phys. 64, 1 (2001).
27. V. V. Walatka, M. M. Labes, and J. H. Perlstein, Phys. Rev. Lett. 31, 1139 (1973); Chem. Phys. Lett. 309, 234 (1999).
28. V. V. Walatka, M. M. Labes, and J. H. Perlstein, Phys. Rev. Lett. 31, 1139 (1973); Chem. Phys. Lett. 309, 234 (1999).