Structural, electronic and magnetic properties of single transition-metal adsorbed BN sheet: A density functional study

Chemical Physics Letters

Volumn 532, Issue , 2012, Pages 40-46

  Li, Jie ^a   Hu, M L ^a   Yu, Zhizhou ^a   Zhong, J X ^a   Sun, L Z ^a  

^a XIANGTAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED SYSTEM; DENSITY-FUNCTIONAL STUDY; ELECTRONIC AND MAGNETIC PROPERTIES; EXCHANGE-CORRELATION FUNCTIONALS; MAGNETIC BEHAVIOR; SPIN FILTERING; STABLE ADSORPTION;

ADSORPTION; ELECTRONIC STRUCTURE; MAGNETIC PROPERTIES; MANGANESE; TRANSITION METALS;

DENSITY FUNCTIONAL THEORY;

EID: 84862804594     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.02.045     Document Type: Article

References (33)

1. K.S. Novoselov Science 306 2004 666
2. C. Berger J. Phys. Chem. B 108 2004 19912
3. V. Fal'ko Nat. Phys. 3 2007 151
4. Y.-W. Son, M.L. Cohen, and S.G. Louie Nature 444 2006 347
5. X. Wang Science 324 2009 768
6. H. Johll, H.C. Kang, and E.S. Tok Phys. Rev. B 79 2009 245416
7. H. Sevinli, M. Topsakal, E. Durgun, and S. Ciraci Phys. Rev. B 77 2008 195434
8. K.T. Chan, J.B. Neaton, and M.L. Cohen Phys. Rev. B 77 2008 235430
9. Y. Mao, J. Yuan, and J. Zhong J. Phys.: Condens. Matter 20 2008 115209
10. C. Cao, M. Wu, J. Jiang, and H.-P. Cheng Phys. Rev. B 81 2010 205424
11. C. Jin, F. Lin, K. Suenaga, and S. Iijima Phys. Rev. Lett. 102 2009 195505
12. J.C. Meyer, A. Chuvilin, A.-S. Gerardo, J. Biskupek, and U. Kaiser Nano Lett. 9 2009 2683
13. D. Golberg, Y. Bando, Y. Huang, T. Terao, M. Mitome, C. Tang, and C. Zhi Nano 4 2010 2979
14. C. Li, Y. Bando, C. Zhi, Y. Huang, and D. Golberg Nanotechnology 20 2009 385707
15. J. Yang, D. Kim, J. Hong, and X. Qian Surf. Sci. 604 2010 1603
16. M.S. Si, and D.S. Xue Phys. Rev. B 75 2007 193409
17. A. Du, Y. Chen, Z. Zhu, R. Amal, G.Q. Lu, and S.C. Smith J. Am. Chem. Soc. 131 2009 17354
18. A.J. Du, Sean C. Smith, and G.Q. Lu Chem. Phys. Lett. 447 2007 181
19. W. Chen, Y. Li, G. Yu, C. Li, S.B. Zhang, Z. Zhou, and Z. Chen JACS 132 2010 1699
20. Y.G. Zhou, J. Xiao-Dong, Z.G. Wang, H.Y. Xiao, F. Gao, and X.T. Zu Phys. Chem. Chem. Phys. 12 2010 7588
21. P. Hohenberg, and W. Kohn Phys. Rev. 136 1964 B864
22. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 A1133
23. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
24. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15
25. D.M. Ceperley, and B.J. Alder Phys. Rev. Lett. 45 1980 566
26. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
27. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais Phys. Rev. B 46 1992 6671
28. P.E. Blöchl Phys. Rev. B 50 1994 17953
29. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
30. A. Nagashima, N. Tejima, Y. Gamou, T. Kawai, and C. Oshima Phys. Rev. Lett. 75 1995 3918
31. R.F.W. Bader Atoms in Molecules A Quantum Theory 1990 Clarendon Press Oxford
32. E. Durgun, and S. Ciraci Phys. Rev. B 74 2006 125404
33. N.S. Venkataramanan, M. Khazaei, R. Sahara, H. Mizuseki, and Y. Kawazoe Chem. Phys. 359 2009 173