Properties of (formula presented) carbon nanotubes from first-principles calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 66, Issue 11, 2002, Pages 1-5

  Liu, H J ^a   Chan, C T ^a  

^a HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84875846115     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.66.115416     Document Type: Article

References (22)

1. S. Iijima, Nature (London) 354, 56 (1991).
2. Z.K. Tang, H.D. Sun, J. Wang, J.S. Chen, and G.D. Li, Appl. Phys. Lett. 73, 2287 (1998);
3. H.D. Sun, Z.K. Tang, J.S. Chen, and G.D. Li, Solid State Commun. 109, 365 (1999);
4. H.D. Sun, Z.K. Tang, J.S. Chen, and G.D. Li, Appl. Phys. A: Mater. Sci. Process. 69, 381 (1999);
5. N. Wang, Z.K. Tang, G.D. Li, and J.S. Chen, Nature (London) 408, 51 (2000).
6. Z.K. Tang, Lingyun Zhang, N. Wang, X.X. Zhang, G.H. Wen, G.D. Li, J.N. Wang, C.T. Chan, and Ping Sheng, Science 292, 2467 (2001).
7. R. Saito, G. Dresselhaus, and M.S. Dresselhaus, Physical Properties of Carbon Nanotubes (Imperial College Press, London, 1998) Chap. 4.
8. X. Blase, L.X. Benedict, E.L. Shirley, and S.G. Louie, Phys. Rev. Lett. 72, 1878 (1994).
9. See, G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993);
10. Phys. Rev. BG. KresseJ. Hafner49,14 251 (1994);
11. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
12. J.P. Perdew and Y. Wang, Phys. Rev. B 45, 13 244 (1992).
13. P.E. Blochl, Phys. Rev. B 50, 17 953 (1994).
14. B. Adolph, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 63, 125108 (2001).
15. J.W. Mintmire and C.T. White, Carbon 33, 893 (1995);
16. D.H. Robertson, D.W. Brenner, and J.W. Mintmire, Phys. Rev. B 45,12 592 (1992).
17. J.L. Yang, H.J. Liu, and C.T. Chan, Phys. Rev. B 64, 085420 (2001).
18. Z.M. Li, Z.K. Tang, H.J. Liu, N. Wang, C.T. Chan, R. Saito, S. Okada, G.D. Li, J.S. Chen, N. Nagasawa, and S. Tsuda, Phys. Rev. Lett. 87, 127401 (2001).
19. Z.K. Tang and X.D. Xiao (private communication).
20. See, e.g., S.G. Louie, in First-Principles Theory of Electron Excitation Energies in Solids, Surfaces, and Defects, edited by C.Y. Fong, Topics in Computational Materials Science (World Scientific, Singapore, 1997), p. 96.
21. W.Z. Liang, G.H. Chen, Z.M. Li, and Z.K. Tang, Appl. Phys. Lett. 80, 3415 (2002).
22. J. Kürti, G. Kresse, and H. Kuzmany, Phys. Rev. B 58, R8869 (1998).