On-ball doping of fullerenes: The electronic structure of C59N dimers from experiment and theory

Physical Review Letters

Volumn 78, Issue 22, 1997, Pages 4249-4252

  Pichler, Thomas ^a   Knupfer, Martin ^a   Golden, Mark S ^a   Haffner, Stefan ^a   Friedlein, Rainer ^a   Fink, Jörg ^a   Andreoni, Wanda ^b   Curioni, Alessandro ^b   Keshavarz K, Majid ^c   Bellavia Lund, Cheryl ^c   Sastre, Angela ^c   Hummelen, Jan Cornelis ^c   Wudl, Fred ^c  

^a IFW DRESDEN   (Germany)

^b IBM RESEARCH ZURICH   (Switzerland)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; BINDING ENERGY; CHEMICAL BONDS; DOPING (ADDITIVES); ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; NITROGEN; PHOTOELECTRON SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY; DIMERS; ELECTRON LOCALIZATION; HIGHEST OCCUPIED MOLECULAR ORBITAL;

FULLERENES;

EID: 0031548121     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.78.4249     Document Type: Article

References (17)

1. T. Guo, C. Jin and R. E. Smalley: J. Phys. Chem., 95, 4948 (1991)
2. W. Andreoni, F. Gygi and M. Parrinello: Chem. Phys. Lett., 190, 159 (1992)
3. J. C. Hummelen et al: Science, 269, 1554 (1995)
4. K. Prassides et al: Chem. Mater., 8, 2405 (1996)
5. C. M. Brown et al: J. Am. Chem. Soc., 118, 8716 (1996)
6. C. M. Brown et al: Chem. Mater., 8, 2548 (1996)
7. G. Oszlanyi et al: Phys. Rev. B (to be published)
8. W. Andreoni et al: J. Am. Chem. Soc., 118, 11 335 (1996)
9. J. Kürti and K. Nemeth: Chem. Phys. Lett., 256, 119 (1996)
10. J. Fink: Adv. Electron. Electron Phys., 75, 121 (1989)
11. Becke B. Phys. Rev. A, 38, 3098 (1988)
12. Lee-Yang-Parr L. Phys. Rev. B, 37, 785 (1988) (BLYP)
13. Martins-Trouiller M. procedure Phys. Rev. B, 43, 1993 (1991)
14. E. L. Shirley and G. Louie: Phys. Rev. Lett., 71, 133 (1993)
15. J. H. Weaver and D. M. Poirier, Solid State Physics, Solid State Physics: Advances in Research and Applications Vol. 48, H. Ehrenreich and F. Saepen (Academic Press, San Diego, 1994), p. 1.
16. D. M. Poirier, C. G. Olson and J. H. Weaver: Phys. Rev. B, 52, 11 662 (1995)
17. M. Keshavarz-K et al: Nature (London), 383, 147 (1996)