Boron-vacancy pairing and its effect on the electronic properties of carbon nanotubes

ECS Solid State Letters

Volumn 1, Issue 4, 2012, Pages

  Kweon, Kyoung E ^a   Hwang, Gyeong S ^a   Kim, Yong Hoon ^b  

^a The University of Texas at Austin   (United States)

^b Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

DFT CALCULATION; ELECTRICAL CONDUCTIVITY; NEGF-DFT; TUBE DIAMETERS;

DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; TUBES (COMPONENTS);

ELECTRONIC PROPERTIES;

EID: 84880527480     PISSN: 21628742     EISSN: 21628750     Source Type: Journal    
DOI: 10.1149/2.009203ssl     Document Type: Article

References (32)

1. S. M. M. Dubois, Z. Zanolli, X. Declerck, and J. C. Charlier, Eur. Phys. J. B, 72, 1 (2009).
2. P. R. Bandaru, C. Daraio, S. Jin, and A. M. Rao, Nat. Mater., 4, 663 (2005).
3. J. Kong, N. R. Franklin, G. Zhou, M. G. Chapline, S. Peng, K. Cho, and H. Dai, Science, 287, 622 (2000).
4. Savas Berber, Y. Kwon, and D. Tománek, Phys, Rev. Lett., 84, 4613 (2000).
5. D. L. Carroll, Ph. Redlich, X. Blase, J. C. Charlier, S. Curran, P. M. Ajayan, S. Roth, and M. Rühle, Phys. Rev. Lett., 81, 2332 (1998).
6. A. H. Nevidomskyy, G. Csányi, and M. C. Payne, Phys. Rev. Lett., 91, 105502 (2003).
7. Y. Yagi, T. M. Briere, M. H. F. Sluiter, V. Kumar, A. A. Farajian, and Y. Kawazoe, Phys. Rev. B, 69, 075414 (2004).
8. J. Yi and J. Bernholc, Phys. Rev. B, 47, 1708 (1993).
9. T. Koretsune and S. Saito, Phys. Rev. B, 77, 165417 (2008).
10. R. Singh and P. Kroll, J. Phys.: Condens. Matter, 21, 196002 (2009).
11. L. Bai and Z. Zhou, Carbon, 45, 2105 (2007).
12. Z. Zhou, X. Gao, J. Yan, D. Song, and M. Morinaga, Carbon, 42, 2677 (2004).
13. M. Sankaran and B. Viswanathan, Carbon, 45, 1628 (2007).
14. C. Jin, K. Suenaga, and S. Iijima, Nano Lett., 8, 1127 (2008).
15. A. V. Krasheninnikov and F. Banhart, Nat. Mater., 6, 723 (2007).
16. H. J. Choi, J. Ihm, S. G. Louie, and M. L. Cohen, Phys. Rev. Lett., 84, 2917 (2000).
17. A. R. Rocha, J. E. Padilha, A. Fazzio, and A. J. R. da Silva, Phys. Rev. B, 77, 153406 (2008).
18. Z. Zanolli and J. C. Charlier, Phys. Rev. B, 81, 165406 (2010).
19. A. V. Krasheninnikov, P. O. Lehtinen, A. S. Foster, and R. M. Nieminen, Chem. Phys. Lett., 418, 132 (2006).
20. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett., 77, 3865 (1996).
21. G. Kresse and J. Furthmuller, VASP the Guide, Vienna University of Technology, Vienna, 2001.
22. P. E. Blöchl, Phys. Rev. B, 50, 17953 (1994).
23. H. J. Monkhorst and J. D. Pack, Phys. Rev. B, 13, 5188 (1976).
24. M. Brandbyge, J. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B, 65, 165401 (2002)
25. J. M. Soler, E. Artacho, J. Gale, D. A. Garcia, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter, 14, 2745 (2002).
26. R. Landauer, Philos. Mag., 21, 863 (1970).
27. Y. Meir and N. S. Wingreen, Phys. Rev. Lett., 68, 2512 (1992).
28. S. Datta, Electronic Transport in Mesoscopic Systems, Cambridge University Press, 1995.
29. A. J. Lu and B. C. Pan, Phys. Rev. Lett., 92, 105504 (2004).
30. J. Cioslowski and P. J. Hay, J. Am. Chem. Soc, 112, 1707 (1990).
31. K. E. Kweon and G. S. Hwang, Phys. Rev. B, 82, 195439 (2010).
32. A. I. Boldyrev and O. P. Charkin, J. Struc. Chem., 26, 451 (1985).