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The transport properties of a single wall carbon tube with transition metal atoms embedded in it are studied by using the first principles method based on the density functional theory and the nonequilibrium Green’s function. Different transition metal atoms filled in the carbon tube are investigated, and the respective charge and spin transport properties are studied. The conductance of the nanotube is found to be distinctive for different metal elements encapsulated, and quantized reductions of conductance can be seen by a quantum unit (2e2/h). In particular, nanotubes with two iron atoms encapsulated in display different I-V curves when the spins of the two iron atoms are in parallel and antiparallel states respectively. These results can be explained by spin-dependent scattering and charge transfer. The encapsulation may tailor the doping and add magnetic behavior to the carbon nanotubes, which would provide a new and promising approach to detect nanoscale magnetic activity.
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Keywords:
- carbon nanotube /
- transition metal atom /
- spin polarized
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[3] Jiang J, Dong J, Xing D Y 2003 Phys. Rev. Lett. 91 056802
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[7] Saito R, Dresselhuas M S, Dresselhuas G 1998 Physical Properties of Carbon Nanotubes (London: Imperial College Press) pp35-123
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[9] Peng S, Cho K 2003 Nano Lett. 3 513
[10] Ni M Y, Wang X L, Zeng Z 2009 Chin. Phys. B 18 357
[11] Zhang L J, Hu H F, Wang Z Y, Wei Y, Jia J F 2010 Acta Phys. Sin. 59 527 (in Chinese) [张丽娟, 胡慧芳, 王志勇, 魏燕, 贾金凤2010 物理学报59 527]
[12] García-Suárez V M, Ferrer J, Lambert C J 2006 Phys. Rev. Lett. 96 106804
[13] Wang S F, Chen L Y, Zhang Y, Zhang J M, Xu K W 2010 Journal of Molecular Structure: Theochem. 962 108
[14] Smeu M, Zahid F, Jaidann M, Abou-Rachid H 2011 J. Phys. Chem. C 115 10985
[15] Xie Y, Zhang J M 2011 The European Physical Journal B 81 459
[16] Diniz E M, Nunes R W, Chacham H, Mazzoni M S C 2010 Physical Review. B 81 153413
[17] Wang L G, Zhang H Y, Wang C, Terence K S W 2010 Acta Phys. Sin. 59 536 (in Chinese)[王利光, 张鸿宇, 王畅Terence K S W 2010 物理学报59 536]
[18] Li S L, Zhang J M 2011 Acta Phys. Sin. 60 078801 (in Chinese)[李姝丽, 张建民2011 物理学报60 078801]
[19] Fan B B, Wang L N, Wen H J, Guan L, Wang H L, Zhang R 2011 Acta Phys. Sin. 60 012101 (in Chinese)[范冰冰, 王利娜, 温合静, 关莉, 王海龙, 张锐2011 物理学报60 012101]
[20] Xie Y, Zhang J M 2011 Chin. Phys. B 20 127302
[21] Zhou LP, Yang SW, Ng MF, Sullivan MB, Tan VB, Shen L 2008 Journal of the American Chemical Society 130 4023
[22] Wang L G, Tagami K, Tsukada M 2003 A. Jpn. Phys. Soc. 58 7852786
[23] Tagami K, Wang L G, Tsukada M 2004 Nano Lett. 4 209
[24] Damle P S, Gosh A W, Datta S 2001 Phys. Rev. B 64 201403
[25] Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge:Cambridge University Press) p20
[26] Perder J P, Zunger A 1981 Phys. Rev. B 23 5048
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[1] Iijima S 1991 Nature 354 56
[2] Kong J, Yenilmez E, Tombler T W, Kim W, Dai H 2001 Phys. Rev. Lett. 87 106801
[3] Jiang J, Dong J, Xing D Y 2003 Phys. Rev. Lett. 91 056802
[4] Yang L F, Chen J W, Yang H T, Dong J M 2004 Phys. Rev. B 69 153407
[5] Li R, Hu Y Z, Wang H, Zhang Y J 2008 Chin. Phys. B 17 4253
[6] Huffman D R 1991 Phys. Today 44 22
[7] Saito R, Dresselhuas M S, Dresselhuas G 1998 Physical Properties of Carbon Nanotubes (London: Imperial College Press) pp35-123
[8] Zeng H, Hu H F, Wei J W, Xie F, Peng P 2006 Acta Phys. Sin. 55 4822 (in Chinese) [曾晖, 胡慧芳, 韦建卫, 谢芳, 彭平2006 物理学报55 4822]
[9] Peng S, Cho K 2003 Nano Lett. 3 513
[10] Ni M Y, Wang X L, Zeng Z 2009 Chin. Phys. B 18 357
[11] Zhang L J, Hu H F, Wang Z Y, Wei Y, Jia J F 2010 Acta Phys. Sin. 59 527 (in Chinese) [张丽娟, 胡慧芳, 王志勇, 魏燕, 贾金凤2010 物理学报59 527]
[12] García-Suárez V M, Ferrer J, Lambert C J 2006 Phys. Rev. Lett. 96 106804
[13] Wang S F, Chen L Y, Zhang Y, Zhang J M, Xu K W 2010 Journal of Molecular Structure: Theochem. 962 108
[14] Smeu M, Zahid F, Jaidann M, Abou-Rachid H 2011 J. Phys. Chem. C 115 10985
[15] Xie Y, Zhang J M 2011 The European Physical Journal B 81 459
[16] Diniz E M, Nunes R W, Chacham H, Mazzoni M S C 2010 Physical Review. B 81 153413
[17] Wang L G, Zhang H Y, Wang C, Terence K S W 2010 Acta Phys. Sin. 59 536 (in Chinese)[王利光, 张鸿宇, 王畅Terence K S W 2010 物理学报59 536]
[18] Li S L, Zhang J M 2011 Acta Phys. Sin. 60 078801 (in Chinese)[李姝丽, 张建民2011 物理学报60 078801]
[19] Fan B B, Wang L N, Wen H J, Guan L, Wang H L, Zhang R 2011 Acta Phys. Sin. 60 012101 (in Chinese)[范冰冰, 王利娜, 温合静, 关莉, 王海龙, 张锐2011 物理学报60 012101]
[20] Xie Y, Zhang J M 2011 Chin. Phys. B 20 127302
[21] Zhou LP, Yang SW, Ng MF, Sullivan MB, Tan VB, Shen L 2008 Journal of the American Chemical Society 130 4023
[22] Wang L G, Tagami K, Tsukada M 2003 A. Jpn. Phys. Soc. 58 7852786
[23] Tagami K, Wang L G, Tsukada M 2004 Nano Lett. 4 209
[24] Damle P S, Gosh A W, Datta S 2001 Phys. Rev. B 64 201403
[25] Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge:Cambridge University Press) p20
[26] Perder J P, Zunger A 1981 Phys. Rev. B 23 5048
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