Carbon cage-like materials as potential low work function metallic compounds: Case of clathrates

Applied Physics Letters

Volumn 80, Issue 8, 2002, Pages 1385-1387

  Timoshevskii, V ^a   Connetable D ^a   Blase, X ^a  

^a UNIVERSITÉ LYON 1   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; CLATHRATES; LOW WORK FUNCTION; PHASE A;

CALCULATIONS; HYDRATES; METALLIC COMPOUNDS;

WORK FUNCTION;

EID: 79956023165     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1453481     Document Type: Article

References (24)

1. J. van der Weide, Z. Zhang, P. K. Baumann, M. G. Wensell, J. Bernholc, and R. J. Nemanich, Phys. Rev. Lett. 50, 5803 (1994). prl PRLTAO 0031-9007
2. W. E. Pickett, Phys. Rev. Lett. 73, 1664 (1994). prl PRLTAO 0031-9007
3. J. Kasper, P. Hagenmuller, M. Pouchard, and C. Cros, Science 150, 1713 (1965). sci SCIEAS 0036-8075
4. G. B. Adams, M. O'Keeffe, A. A. Demkov, O. F. Sankey, and Y.-M. Huang, Phys. Rev. B 49, 8048 (1994). prb PRBMDO 0163-1829
5. J. Gryko, P. F. McMillan, R. F. Marzke, G. K. Ramachandran, D. Patton, S. K. Deb, and O. F. Sankey, Phys. Rev. B 62, R7707 (2000). prb PRBMDO 0163-1829
6. S. Saito and A. Oshiyama, Phys. Rev. B 51, 2628 (1995). prb PRBMDO 0163-1829
7. V. I. Smelyanski and J. S. Tse, Chem. Phys. Lett. 264, 459 (1997). cph CHPLBC 0009-2614
8. C. Piskoti, J. Yarger, and A. Zettl, Nature (London) 393, 771 (1998). nat NATUAS 0028-0836
9. V. Paillard, P. Mélinon, V. Dupuis, J. P. Perez, A. Perez, and B. Champagnon, Phys. Rev. Lett. 71, 4170 (1993). prl PRLTAO 0031-9007
10. P. Hohenberg and W. Kohn, Phys. Rev. B 136, 864 (1964); pvb PRVBAK 0096-8269
11. W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965). pva PRVAAH 0096-8250
12. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980); prl PRLTAO 0031-9007
13. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). prb PRBMDO 0163-1829
14. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991); prb PRBMDO 0163-1829
15. K. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982). prl PRLTAO 0031-9007
16. P. Ordejoń, E. Artacho, and J. M. Soler, Phys. Rev. B 53, R10441 (1996); prb PRBMDO 0163-1829
17. D. Sańchez-Portal, P. Ordejoń, E. Artacho, and J. M. Soler, Int. J. Quantum Chem. 65, 453 (1997). ijq IJQCB2 0020-7608
18. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). prq PLRBAQ 0556-2805
19. M. Hybertsen and S. G. Louie, Phys. Rev. B 30, 5777 (1984); and references therein. prb PRBMDO 0163-1829
20. F should be taken as an approximate value. X. Blase (unpublished).
21. R. Nesper, K. Vogel, and P. Blöchl, Angew. Chem. 32, 701 (1993). agc ANCEAD 0044-8249
22. A. San-Miguel, P. Kéghélian, X. Blase, P. Mélinon, A. Perez, J. P. Itié, A. Polian, E. Reny, C. Cros, and M. Pouchard, Phys. Rev. Lett. 83, 5290 (1999). prl PRLTAO 0031-9007
23. S. Saito, Proceedings of the First Symposium on Atomic-Scale Surface and Interface Dynamics, March 13-14, 1997, Tokyo.
24. M. Bernasconi, S. Gaito, G. Benedek, Phys. Rev. B 61, 12689 (2000). prb PRBMDO 0163-1829