Stable ferromagnetism and doping-induced half-metallicity in asymmetric graphene nanoribbons

Physical Review B - Condensed Matter and Materials Physics

Volumn 85, Issue 24, 2012, Pages

  Adams, Donat J ^a   Gröning, Oliver ^a   Pignedoli, Carlo A ^a   Ruffieux, Pascal ^a   Fasel, Roman ^a   Passerone, Daniele ^a  

^a SWISS FEDERAL LABORATORIES FOR MATERIALS SCIENCE AND TECHNOLOGY   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84863309999     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.245405     Document Type: Article

References (39)

1. A. K. Geim and K. S. Novoselov, Nat. Mater. 1476-1122 10.1038/nmat1849 6, 183 (2007). (Pubitemid 46353764)
2. W. Han and R. K. Kawakami, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.047207 107, 047207 (2011).
3. D. Abanin, Science SCIEAS 0036-8075 10.1126/science.1199595 332, 328 (2011).
4. B. Huang, Q. Yan, Z. Li, and W. Duan, Front. Phys. China 1673-3487 10.1007/s11467-009-0029-3 4, 269 (2009).
5. J. Cai, P. Ruffieux, R. Jaafar, M. Bieri, T. Braun, S. Blankenburg, M. Muoth, A. P. Seitsonen, M. Saleh, X. Feng, K. Muellen, and R. Fasel, Nature (London) NATUAS 0028-0836 10.1038/nature09211 466, 470 (2010).
6. D. Klein and L. Bytautas, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp990510j 103, 5196 (1999).
7. A. R. Akhmerov and C. W. J. Beenakker, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.085423 77, 085423 (2008).
8. Ç. Ö. Girit, J. C. Meyer, R. Erni, M. D. Rossell, C. Kisielowski, L. Yang, C.-H. Park, M. F. Crommie, M. L. Cohen, S. G. Louie, and A. Zettl, Science SCIEAS 0036-8075 10.1126/science.1166999 323, 1705 (2009).
9. L. Yang, C. H. Park, Y. W. Son, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99.186801 99, 186801 (2007). (Pubitemid 350074449)
10. S. Yu, W. Zheng, and Q. Jiang, IEEE Trans. Nanotech. 1536-125X 10.1109/TNANO.2009.2020797 9, 78 (2010).
11. W. Kim and K. Kim, Nature Nanotech. 1748-3387 10.1038/nnano.2008.163 3, 408 (2008).
12. F. Muñoz-Rojas, J. Fernández-Rossier, and J. J. Palacios, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.136810 102, 136810 (2009).
13. S. Dutta, A. K. Manna, and S. K. Pati, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.096601 102, 096601 (2009).
14. L. Lai, Nano Research 1998-0124 10.1007/s12274-009-9081-0 2, 844 (2009).
15. X. Lin and J. Ni, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84. 075461 84, 075461 (2011).
16. E. Kan, Z. Li, J. Yang, and J. G. Hou, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja710407t 130, 4224 (2008). (Pubitemid 351466405)
17. Y. Wang, Y. Ding, S. Shi, and W. Tang, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3574906 98, 163104 (2011).
18. S. Yu, W. Zheng, Q. Wen, and Q. Jiang, Carbon CRBNAH 0008-6223 10.1016/j.carbon.2008.01.006 46, 537 (2008).
19. J. Fernández-Rossier and J. J. Palacios, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99.177204 99, 177204 (2007). (Pubitemid 350010800)
20. L. A. Agapito, N. Kioussis, and E. Kaxiras, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.201411 82, 201411 (2010).
21. See Ref. and references therein.
22. M. Wimmer, I. Adagideli, S. Berber, D. Tománek, and K. Richter, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.177207 100, 177207 (2008). (Pubitemid 351624642)
23. E. H. Lieb, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.62.1201 62, 1201 (1989).
24. S. Baroni, A. Dal Corso, S. de Gironcoli, and P. Giannozzi, [http://www.pwscf.org].
25. We use ultrasoft pseudopotentials allowing for a reduced cutoff energy (410 eV). The generalized gradient approach is used for the exchange correlation interaction. In all cases five k points were sufficient to sample the reciprocal space in the periodic direction.
26. Q. Lu and R. Huang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81. 155410 81, 155410 (2010).
27. Y. Hancock and A. Smith, Physica E PELNFM 1386-9477 10.1016/S1386- 9477(02)01103-7 18, 383 (2003).
28. These are common features for substitutions on the B sublattice and are not specific to the particular choice of the position within this sublattice.
29. S. R. Power, V. M. de Menezes, S. B. Fagan, and M. S. Ferreira, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.195431 84, 195431 (2011).
30. See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.85.245405 for an extended discussion of the substitution sites.
31. B. Note also that the considerations are not on an atomic scale. The atomic nearest interaction J ′ is antiferromagnetic. J corresponds to the interaction of triangular domains intermediated by J ′.
32. Z. Wang, One-Dimensional Nanostructures, Lecture Notes in Nanoscale Science and Technology (Springer, New York, 2008).
33. A. Liechtenstein, M. Katsnelson, V. Antropov, and V. Gubanov, J. Magn. Magn. Mater. JMMMDC 0304-8853 10.1016/0304-8853(87)90721-9 67, 65 (1987) (Pubitemid 17583667)
34. See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.85.245405 for a further discussion of the magnetic coupling.
35. T. Dietl, H. Ohno, F. Matsukura, J. Cibert, and D. Ferrand, Science SCIEAS 0036-8075 10.1126/science.287.5455.1019 287, 1019 (2000). (Pubitemid 30094353)
36. H. Akinaga, M. Mizuguchi, K. Ono, and M. Oshima, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.125753 76, 357 (2000).
37. O. Yazyev, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/73/5/ 056501 73, 056501 (2010).
38. A. Dal Corso, A. Pasquarello, A. Baldereschi, and R. Car, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.53.1180 53, 1180 (1996).
39. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).