Mn dimers on graphene nanoribbons: An ab initio study

Journal of Applied Physics

Volumn 109, Issue 5, 2011, Pages

  Rigo, V A ^a,b,e   Miwa, R H ^c   Da Silva, Antonio J R ^a,d   Fazzio, A ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b FEDERAL UNIVERSITY OF SANTA MARIA   (Brazil)

^c FEDERAL UNIVERSITY OF UBERLÂNDIA   (Brazil)

^d LABORATÓRIO NACIONAL DE LUZ SÍNCROTRON   (Brazil)

^e UNIVERSIDADE FEDERAL DO ABC   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO STUDY; ANTIFERROMAGNETIC COUPLING; DENSITY FUNCTIONAL THEORY CALCULATIONS; EDGE SITES; GRAPHENE NANORIBBONS; MAGNETIC BISTABILITY; METALLIC CLUSTERS; SPIN DENSITIES; TOTAL ENERGY; USEFUL PROPERTIES;

ADSORPTION; ANTIFERROMAGNETISM; CALCULATIONS; DENSITY FUNCTIONAL THEORY; EXCITED STATES; GRAPHENE; GROUND STATE; MAGNETIC MOMENTS; MANGANESE;

DIMERS;

EID: 79953008290     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3553849     Document Type: Article

References (19)

1. A. R. Rocha, V. M. Garcia-Surez, S. W. Bailey, C. J. Lambert, J. Ferrer, and S. Sanvito, Nat. Mater. 4, 335 (2005). 10.1038/nmat1349 (Pubitemid 40453812)
2. M. Mannini, F. Pineider, P. Sainctavit, C. Danieli, E. Otero, C. Sciancalepore, A. Talarico, M.-A. Arrio, A. Cornia, D. Gatteschi, and R. Sessoli, Nat. Mat. 8, 194 (2009). 10.1038/nmat2374
3. T. O. Strandberg, C. M. Canali, and A. H. MacDonald, Nat. Mat. 6, 648 (2007). 10.1038/nmat1968 (Pubitemid 47359546)
4. C. A. Baumann, R. J. V. Zee, S. V. Bhat, and W. W. Jr., J. Chem. Phys. 78, 190 (1983). 10.1063/1.444540
5. D. Tzelli, U. Miranda, I. G. Kalpan, and A. Mavridis, J. Chem. Phys. 129, 154310 (2008). 10.1063/1.2993750
6. J. Meja-Lpes, A. H. Romero, M. E. Garcia, and J. L. Morn-Lpez, Phys. Rev. B 78, 134405 (2008). 10.1103/PhysRevB.78.134405
7. H. Lee, Y.-W. Son, N. Park, S. Han, and J. Yu, Phys. Rev. B 72, 174431 (2005). 10.1103/PhysRevB.72.174431 (Pubitemid 43017966)
8. L. Pisani, J. A. Chan, B. Montanari, and N. M. Harrison, Phys. Rev. B 75, 064418 (2007). 10.1103/PhysRevB.75.064418
9. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
10. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991). 10.1103/PhysRevB.43.1993
11. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
12. J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejn, and D. Sánchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002). 10.1088/0953-8984/14/11/302 (Pubitemid 34288362)
13. We verify the convergence of our results with respect to the size of the basis set and the number of special k-points to the sampling of the Brillouin zone. We find that our total energy results converged by 5 meV/unit cell.
14. W. H. Brito and R. H. Miwa, Phys. Rev. B 82, 045417 (2010). 10.1103/PhysRevB.82.045417
15. H. Johll, H. C. Kang, and E. S. Tok, Phys. Rev. B 79, 245416 (2009). 10.1103/PhysRevB.79.245416
16. R. Xiao, D. Fritsch, M. D. Kuz'min, K. Koepernik, H. Eshrig, M. Richter, K. Vietze, and G. Seifert, Phys. Rev. Lett. 103, 187201 (2009). 10.1103/PhysRevLett.103.187201
17. O. Fruchart and A. Thiaville, C. R. Physique 6, 921 (2005). 10.1016/j.crhy.2005.10.011 (Pubitemid 43108752)
18. Y.-W. Son, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. 97, 216803 (2006). 10.1103/PhysRevLett.97.216803 (Pubitemid 44808139)
19. T. B. Martins, R. H. Miwa, A. J. R. da Silva, and A. Fazzio, Phys. Rev. Lett. 98, 196803 (2007). 10.1103/PhysRevLett.98.196803 (Pubitemid 47139493)