Ab initio studies of the structural and electronic properties of solid cubane

Physical Review B - Condensed Matter and Materials Physics

Volumn 58, Issue 23, 1998, Pages 15307-15309

  Richardson, Steven L ^a   Martins, José Luis ^a  

^a INESC   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001336610     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.58.15307     Document Type: Article

References (34)

1. H. W. Kroto, J. R. Heath, S. C. O’Brien, R. F. Curl, and R. E. Smalley, Nature (London) 318, 162 (1985).
2. P. Heiney et. al Phys. Rev. Lett. 66, 2911 (1991).
3. Phys. Rev. Lett.P. Heiney67, 1468 (1991).
4. Buckministerfullerenes, edited by W. Edward Billups and Marco A. Ciufolin (VCH Publishers, New York, 1992).
5. P. E. Eaton and T. W. Cole, Jr., J. Am. Chem. Soc. 86, 3158 (1964).
6. E. M. Fleischer, J. Am. Chem. Soc. 86, 3889 (1964).
7. J. Am. Chem. Soc.E. M. Fleischer86, 3395 (1964).
8. T. Yildirim, P. M. Gehring, D. A. Neumann, P. E. Eaton, and T. Emrick, Phys. Rev. Lett. 78, 4938 (1997).
9. C. Wu, Science News, 152, 22(1997).
10. A. Detken, H. Zimmermann, U. Haeberlen, R. Poupko, and Z. Luz, J. Phys. Chem. 100, 9598 (1996).
11. D. A. Chapman, J. J. Kaufman, and R. J. Bueneker, Int. J. Quantum Chem. 40, 389 (1991).
12. E. N. Bongegger, P. E. Eaton, B. K. Ravi Shankar, and E. Heilbronner, Helv. Chim Acta 65, 1982 (1982).
13. P. Bischof, P. E. Eaton, R. Gleiter, E. Heilbronner, T. B. Jones, H. Musso, A. Schmelzer, and R. Stober, Helv. Chim Acta 61, 547 (1978).
14. J. L. Martins, N. Troullier, and J. H. Weaver, Chem. Phys. Lett. 180, 457 (1991).
15. N. Troullier and J. L. Martins, Phys. Rev. B 46, 1754 (1992).
16. Phys. Rev. BJ. L. Martins and N. Troullier, 46, 1766 (1992).
17. J. H. Weaver, J. L. Martins, T. Komdea, Y. Chen, T. R. Ohno, G. H. Kroll, N. Troullier, R. E. Haffler, and R. E. Smalley, Phys. Rev. Lett. 66, 1741 (1991).
18. M. B. Jost, N. Troullier, D. M. Poirer, J. L. Martins, J. H. Weaver, L. P. F. Chibante, and R. E. Smalley, Phys. Rev. B 44, 1966 (1991).
19. P. J. Benning, D. M. Poirer, N. Troullier, J. L. Martins, J. H. Weaver, R. E. Haffler, L. P. F. Chibante, and R. E. Smalley, Phys. Rev. B 44, 1962 (1991).
20. P. J. Benning, F. Stepniak, D. M. Poirer, J. L. Martins, J. H. Weaver, L. P. F. Chibante, and R. E. Smalley, Phys. Rev. B 47, 13 843 (1993).
21. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
22. Phys. Rev.W. Kohn and L. J. Sham, 140, A113 (1965).
23. J. Ihm, A. Zunger, and M.L. Cohen J. Phys. C 12, 4409 (1979).
24. J. Phys. CJ. IhmA. ZungerM.L. Cohen13, 3095(E) (1980).
25. A general review of the LDA pseudopotential method has been done by W. E. Pickett, Comput. Phys. Rep. 9, 117 (1989).
26. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
27. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
28. N. Troullier and J. L. Martins, Solid State Commun. 74, 613 (1990).
29. N. TroullierJ. L. MartinsPhys. Rev. B 43, 1993 (1991).
30. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
31. J. L. Martins and M. L. Cohen, Phys. Rev. B 37, 6134 (1988).
32. R. M. Wentzcovitch, J. L. Martins, and G. D. Price, Phys. Rev. Lett. 70, 3947 (1993).
33. A. Dal Corso and R. Resta, Phys. Rev. B 50, 4327 (1994).
34. M. R. Pederson (private communication).