Magnetic and electronic properties of a single iron atomic chain encapsulated in carbon nanotubes: A first-principles study

Journal of Molecular Structure: THEOCHEM

Volumn 962, Issue 1-3, 2010, Pages 108-112

  Wang, Su Fang ^a   Chen, Li Yong ^a   Zhang, Yan ^b   Zhang, Jian Min ^a   Xu, Ke Wei ^c  

^a SHAANXI NORMAL UNIVERSITY   (China)

^b LABORATOIRE STRUCTURES   (France)

^c XI'AN JIAOTONG UNIVERSITY   (China)

Author keywords

Carbon nanotube; First principles; Iron atom chain; Magnetic and electronic properties

Indexed keywords

EID: 78549267115     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.09.023     Document Type: Article

References (41)

1. Zhao J.J., Buldum A., Han J., Lu J.P. Phys. Rev. Lett. 2000, 85:1706.
2. Ding J.W., Yan X.H., Cao J.X. Phys. Rev. B 2002, 66:073401.
3. Sano N., Chhowalla M., Roy D., Amaratunga G.A.J. Phys. Rev. B 2002, 66:113403.
4. Gulseren O., Yildirim T., Ciraci S. Phys. Rev. B 2003, 68:115419.
5. Nevidomskyy A.H., Csanyi G., Payne M.C. Phys. Rev. Lett. 2003, 91:105502.
6. Liu Y., Jones R.O., Zhao X., Ando Y. Phys. Rev. B 2003, 68:125413.
7. Mao Y.L., Yan X.H., Xiao Y., Xiang J., Yang Y.R., Yu H.L. Nanotechnology 2004, 15:1000.
8. Dresselhaus M.S., Dresselhaus G., Eklum P.C. Science of Fullerenes and Carbon Nanotubes 1996, Academic, New York.
9. Saito R., Dresselhaus G., Dresselhaus M.S. Physical Properties of Carbon Nanotubes 1998, Imperial College Press, London.
10. Svensson K., Olin H., Olsson E. Phys. Rev. Lett. 2004, 93:145901.
11. Jin-Phillipp N.Y., Ruhle M. Phys. Rev. B 2004, 70:245421.
12. Slanina Z., Zhao X., Uhlík F., Ozawa M., Ōsawa E. J. Organomet. Chem. 2000, 599:57.
13. Satishkumar B.C., Govindaraj A., Vanitha P.V., Raychaudhuri A.K., Rao C.N.R. Chem. Phys. Lett. 2002, 362:301.
14. Hornbaker D.J., Kahng S.J., Misra S., Smith B.W., Johnson A.T., Mele E.J., Luzzi D.E., Yazdani A. Science 2002, 295:828.
15. Borowiak-Palen E., Mendoza E., Bachmatiuk A., Rummeli M.H., Gemming T., Nogues J., Skumryev V., Kalenczuk R.J., Pichler T., Silva S.R.P. Chem. Phys. Lett. 2006, 421:129.
16. Durgun E., Dag S., Bagci V.M.K., Gulseren O., Yildirim T., Ciraci S. Phys. Rev. B 2003, 67:201401(R).
17. Fagan S.B., Mota R. Phys. Rev. B 2003, 67:205414.
18. Fagan S.B., Mota R., da Silva A.J.R., Fazzio A. Physica B 2003, 340:342.
19. Fagan S.B., Mota R., da Silva A.J.R., Fazzio A. Microelectron. J. 2003, 34:481.
20. Dag S., Durgun E., Ciraci S. Phys. Rev. B 2004, 69:121407(R).
21. Yagi Y., Briere T.M., Sluiter M.H.F., Kumar V., Farajian A.A., Kawazoe Y. Phys. Rev. B 2004, 69:075414.
22. Kang Y.J., Choi J., Moon C.Y., Chang K.J. Phys. Rev. B 2005, 71:115441.
23. Li L., Khlobystov A., Wiltshire J.G., Briggs G.A.D., Nicholas R.J. Nat. Mater. 2005, 4:481.
24. Garcia-Suaez V.M., Ferrer J., Lambert C.J. Phys. Rev. Lett. 2006, 96:106804.
25. Sun L., Banhart F., Krasheninnikov A.V., Rodriguez-Manzo J.A., Terrones M., Ajayan P.M. Science 2006, 312:1199.
26. Sun Y., Yang X.B., Ni J. Phys. Rev. B 2007, 76:035407.
27. Rahman M.M., Kishi M., Kishi T., Matsunaka D., Diño W.A., Nakanishi H., Kisai H. J. Phys: Condens. Matter 2004, 16:5755-5758.
28. Kresse G., Hafner J. Phys. Rev. B 1993, 47:558.
29. Kresse G., Hafner J. Phys. Rev. B 1994, 49:14251.
30. Kresse G., Furthmüller J. Comput. Mater. Sci. 1996, 6:15.
31. Kresse G., Furthmüller J. Phys. Rev. B 1996, 54:11169.
32. Monkhorst H.J., Pack J.D. Phys. Rev. B 1976, 13:5390.
33. Kohn W., Sham L. Phys. Rev. A 1965, 140:1133.
34. Kresse G., Joubert D. Phys. Rev. B 1999, 59:1758.
35. Perdew J.P., Burke S., Ernzerhof M. Phys. Rev. Lett. 1996, 77:3865.
36. Monkhorst H.J., Pack J.D. Phys. Rev. B 1976, 13:5188-5192.
37. Kang Y.J., Chang K.J. Physica B 2006, 376-377:311-315.
38. Miyamoto Y., Saito S., Tománek D. Phys. Rev. B 2001, 65:041402.
39. Mao Y.L., Yan X.H., Xiao Y. Nanotechnology 2005, 16:3092.
40. He K.H., Zheng G., Chen G., Wan M., Ji G.F. Phys. Rev. B 2008, 403:4213-4216.
41. Žútic I., Fabian J., Sarma S.D. Rev. Mod. Phys. 2004, 76:323.