First-principles study of transition metal linear monoatomic chains adsorption on boron nitride nanotube

Physica B: Condensed Matter

Volumn 406, Issue 24, 2011, Pages 4572-4577

  Xie, You ^a,b   Zhang, Jian Min ^a   Huo, Yi Ping ^a  

^a SHAANXI NORMAL UNIVERSITY   (China)

^b XI'AN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Boron nitride nanotube; Electronic structure; First principles; Magnetic property; Transition metal

Indexed keywords

ADSORPTION; BORON NITRIDE; CALCULATIONS; CHAINS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; III-V SEMICONDUCTORS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; NANOTUBES; NITRIDES; STRUCTURAL METALS; YARN;

BORON NITRIDE NANOTUBES; DISPERSION CHARACTERS; ELECTRONIC AND MAGNETIC PROPERTIES; FIRST PRINCIPLE CALCULATIONS; FIRST PRINCIPLES; FIRST-PRINCIPLES STUDY; HIGH MAGNETIC MOMENTS; NANOELECTRONIC DEVICES;

TRANSITION METALS;

EID: 80055013083     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.09.035     Document Type: Article

References (47)

1. S.B. Fagan, R. Mota, A.J.R. da Silva, and A. Fazzio Phys. Rev. B 67 2003 205414
2. C.K. Yang, J. Zhao, and J.P. Lu Phys. Rev. Lett. 90 2003 257203
3. S. Yuan, X. Wang, P. Li, C. Wang, and S. Yuan J. Appl. Phys. 104 2008 013509
4. E. Durgun, S. Dag, V. Bagci, O. Gülseren, T. Yildirim, and S. Ciraci Phys. Rev. B 67 2003 201401 R
5. E. Durgun, and S. Ciraci Phys. Rev. B 74 2006 125404
6. C.K. Yang, J. Zhao, and J.P. Lu Nano Lett. 4 2004 561
7. Y. Yagi, T.M. Briere, M.H.F. Sluiter, V. Kumar, A.A. Farajian, and Y. Kawazoe Phys. Rev. B 69 2004 075414
8. X. Wu, and X.C. Zeng J. Chem. Phys. 125 2006 044711
9. J.M. Zhang, S.F. Wang, L.Y. Chen, K.W. Xu, and V. Ji Eur. Phys. J. B 76 2010 289
10. J.X. Zhao, and Y.H. Ding J. Phys. Chem. C 112 2008 2558
11. S.B. Fagan, R. Mota, A.J.R. da Silva, and A. Fazzio J. Phys.: Condens. Matter 16 2004 3647
12. C.K. Yang, J. Zhao, and J.P. Lu Phys. Rev. B 66 2002 041403 R
13. D.H. Chi, N.T. Cuong, N.A. Tuan, Y.T. Kim, H.T. Bao, T. Mitani, T. Ozaki, and H. Nagao Chem. Phys. Lett. 432 2006 213
14. J.C. Tung, and G.Y. Guo Phys. Rev. B 76 2007 094413
15. C. Ataca, S. Cahangirov, E. Durgun, Y.R. Jang, and S. Ciraci Phys. Rev. B 77 2008 214413
16. Y. Mokrousov, G. Bihlmayer, S. Heinze, and S. Blügel Phys. Rev. Lett. 96 2006 147201
17. A. Delin, and E. Tosatti Phys. Rev. B 68 2003 144434
18. Y. Sun, X. Yang, and J. Ni Phys. Rev. B 76 2007 035407
19. C. Jo, J.I. Lee, and Y.R. Jang Surf. Sci. 600 2006 1559
20. S.B. Fagan, R. Mota, A.J.R. da Silva, and A. Fazzio Microelectron. J. 34 2003 481
21. W. An, and C.H. Turner Phys. Rev. B 81 2010 205433
22. W. An, and C.H. Turner J. Phys. Chem. C 113 2009 15346
23. A. Rubio, J.L. Corkill, and M.L. Cohen Phys. Rev. B 49 1994 5081
24. N.G. Chopra, R.J. Luyken, K. Cherrey, V.H. Crespi, M.L. Cohen, S.G. Louie, and A. Zettl Science 269 1995 966
25. E. Bengu, and L.D. Marks Phys. Rev. Lett. 86 2001 2385
26. H.J. Xiang, J.L. Yang, J.G. Hou, and Q.S. Zhu Phys. Rev. B 68 2003 035427
27. K. Yum, and M.F. Yu Nano Lett. 6 2006 329
28. H.J. Xiang, J. Yang, J.G. Hou, and Q. Zhu. New J. Phys. 7 2005 39
29. C.K. Yang, J. Zhao, and J.P. Lu. Phys. Rev. B 74 2006 235445
30. G.W. Peng, A.C.H. Huan, and Y.P. Feng. Appl. Phys. Lett. 88 2006 193117
31. J.M. Zhang, S.F. Wang, X.J. Du, K.W. Xu, and V. Ji. J. Phys. Chem. C 113 2009 17745
32. J.M. Zhang, S.F. Wang, K.W. Xu, and V. Ji J. Nanosci. Nanotechnol. 10 2010 840
33. S.F. Wang, J.M. Zhang, and K.W. Xu Physica B 405 2010 1035
34. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15
35. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
36. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
37. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
38. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
39. K.A. Johnson, and N.W. Ashcroft Phys. Rev. B 58 1998 15548
40. X. Blase, A. Rubio, S.G. Louie, and M.L. Cohen Europhys. Lett. 28 1994 335
41. J.F. Jia, H.S. Wu, and H. Jiao Physica B 381 2006 90
42. R.L. Liang, Y. Zhang, J.M. Zhang, and V. Ji Physica B 405 2010 2673
43. S. Dag, O Gülseren, T. Yildirim, and S. Ciraci Phys. Rev. B 67 2003 165424
44. H.J. Liu, and C.T. Chan Phys. Rev. B 66 2002 115416
45. S.L. Dudarev, G.A. Botton, S.Y. Savrasov, C.J. Humphreys, and A.P. Sutton Phys. Rev. B 57 1998 1505
46. C. Adamo, and V. Barone J. Chem. Phys. 110 1999 6158
47. R. Bader Atoms in Molecules: A Quantum Theory 1990 Oxford University Press New York