A density functional study on transition-metal-coated single-walled carbon nanotubes

Journal of Physical Chemistry C

Volumn 112, Issue 25, 2008, Pages 9128-9132

  Wang, Guo ^a   Huang, Yuanhe ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; COATED MATERIALS; MAGNETIC MATERIALS; MAGNETIC MOMENTS; METALS; NANOCOMPOSITES; NANOPORES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NANOTUBES; SINGLE-WALLED CARBON NANOTUBES (SWCN); SPIN DYNAMICS; SUPERCONDUCTING MAGNETS; SUPERCONDUCTING MATERIALS; SUPERCONDUCTING TRANSITION TEMPERATURE; TRANSITION METALS;

A-DENSITY; ADSORPTION SITES; HIGH SPINS; METAL-COATED; NON-MAGNETIC MATERIALS; SINGLE-WALLED CARBON; SUPERCONDUCTING TRANSITIONS; TRANSITION METAL ATOMS;

CARBON NANOTUBES;

EID: 53549119417     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp7108253     Document Type: Article

References (44)

1. Iijima, S.; Ichihashi, T. Nature 1993, 363, 603.
2. Bethune, D. S.; Kiang, C-H.; de Vries, M. S.; Gorman, G.; Savoy, R.; Vazquez, J.; Beyers, R. Nature 1993, 363, 605.
3. Zhang, Y.; Franklin, N. W.; Chen, R. J.; Dai, H. Chem. Phys. Lett. 2000, 331, 35.
4. Zhang, Y.; Dai, H. Appl. Phys. Lett. 2000, 77, 3015.
5. Yang, C-K.; Zhao, J.; Lu, J. P. Nano Lett. 2004, 4, 561.
6. Prinz, G. A. Science 1998, 282, 1660.
7. Wolf, S. A.; Awschalom, D. D.; Buhrman, R. A.; Daughton, J. M.; von Molnár, S.; Roukes, M. L.; Chtchelkanova, A. Y.; Treger, D. M. Science 2001, 294, 1488.
8. Yang, C.-K.; Zhao, J.; Lu, J. P. Phys. Rev. B 2002, 66, 041403.
9. Durgun, E.; Ciraci, S. Phys. Rev. B 2006, 74, 125404.
10. Fagan, S. B.; Mota, R.; da Silva, A. J. R.; Fazzio, A. Microelectron. J. 2003, 34, 481.
11. Fagan, S. B.; Mota, R.; da Silva, A. J. R.; Fazzio, A. J. Phys.: Condens. Matter 2004, 16, 3647.
12. Fagan, S. B.; Fazzio, A.; Mota, R. Nanotechnology 2006, 17, 1154.
13. Jo, C.; Lee, J. I.; Jang, Y.-R. Surf. Sci. 2006, 600, 1592.
14. Dag, S.; Durgun, E.; Ciraci, S. Phys. Rev. B 2004, 69, 121407.
15. Dag, S.; Ciraci, S. Phys. Rev. B 2005, 71, 165414.
16. Kasumov, A. Y.; Deblock, R.; Kociak, M.; Reulet, B.; Bouchiat, H.; Khodos, I. I.; Gorbatov, Y. B.; Volkov, V. T.; Joumet, C.; Burghard, M. Science 1999, 284, 1508.
17. Allen, P. B.; Dynes, R. C. Phys. Rev. B 1975, 12, 905.
18. Perdew J. P. In Electronic Structure of Solids, Ziesche, P.; Eschrig, H. Eds.; Akademie Verlag: Berlin, 1991.
19. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671.
20. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
21. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, 558.
22. Kresse, G.; Hafner, J. Phys. Rev. B 1994, 49, 14251.
23. Kresse, G.; Furthmüller, J. Phys. Rev. B 1996, 54, 11169.
24. Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15.
25. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188.
26. Durgun, E.; Dag, S.; Bagci, V. M. K.; Gülseren, O.; Yildirim, T.; Ciraci, S. Phys. Rev. B 2003, 67, 201401.
27. Durgun, E.; Dag, S.; Ciraci, S.; Gülseren, O. J. Phys. Chem. B 2004, 108, 575.
28. Yagi, Y.; Briere, T. M.; Sluiter, M. H. F.; Kumar, V.; Farajian, A. A.; Kawazoe, Y. Phys. Rev. B 2004, 69, 075414.
29. Soulen Ji, R. J.; Byers, J. M.; Osofsky, M. S.; Nadgorny, B.; Ambrose, T.; Cheng, S. F.; Broussard, P. R.; Tanaka, C. T.; Nowak, J.; Moodera, J. S.; Barry, A.; Coey, J. M. D. Science 1998, 282, 85.
30. Yang, C.-K.; Zhao, J.; Lu, J. P. Phys. Rev. Lett. 2003, 90, 257203.
31. Dovesi R.; Saunders V. R.; Roetti C.; Orlando R.; Zicovich-Wilson C. M.; Pascale F.; Civalleri B.; Doll K.; Harrison N. M.; Bush I. J.; Ph. D' Arco; Llunell M. CRYSTAL06 User's Manual; University of Torino: Italy, 2007.
32. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
33. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
34. CRYSTAL Home Page, http://www.crystal.unito.it (accessed April 2008).
35. Tanaka, K.; Huang, Y.; Yamabe, T. Phys. Rev. B 1995, 51, 12715.
36. Pascale, F.; Zicovich-Wilson, C. M.; Lopez, F.; Civalleri, B.; Orlando, R.; Dovesi, R. J. Comput. Chem. 2004, 25, 888.
37. Zicovich-Wilson, C. M.; Pascale, F.; Roetti, C.; Saunders, V. R.; Orlando, R.; Dovesi, R J. Comput. Chem. 2004, 25, 873.
38. Huang, Y.; Okada, M.; Tanaka, K.; Yamabe, T. Phys. Rev. B 1996, 53, 5129.
39. Pietronero, L.; Strässler, S.; Zeller, H. R. Phys. Rev. B 1980, 22, 904.
40. Jishi, R. A.; Dresselhaus, G. Phys. Rev. B 1982, 26, 4514.
41. Bardeen, J.; Shockley, W. Phys. Rev. 1950, 80, 72.
42. Huang, Y.; Chen, G.; Liu, R. J. Phys. Chem. Solids 1998, 59, 1365.
43. Bardeen, J.; Cooper, L. N.; Schrieffer, J. R. Phys. Rev. B 1957, 108, 1175.
44. McMillan, W. L. Phys. Rev. 1968, 167, 331.