Magnetism and structure at vacant lattice sites in graphene

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 41, Issue 1, 2008, Pages 80-83

  Dharma wardana, M W C ^a   Zgierski, Marek Z ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

Defects; Density functional theory; Graphene; Magnetism; Metal insulator; Nanostructures; Phase transitions; Spin polarized ground states; Vacancies

Indexed keywords

ELECTRONIC STRUCTURE; METAL INSULATOR BOUNDARIES; METAL INSULATOR TRANSITION; METALS; SEMICONDUCTOR INSULATOR BOUNDARIES; VACANCIES;

DEFECTS; DENSITY-FUNCTIONAL METHODS; DENSITY-FUNCTIONAL THEORY; FINITE SEGMENTS; GRAPHENE; GROUND-STATE; LATTICE SITES; MAGNETIC TRANSITIONS; MAGNETISM; METAL-INSULATOR; METAL-INSULATOR TRANSITIONS; NANOSTRUCTURES; PERIODIC ARRAYS; PERIODIC SIMULATION; PHASE TRANSITIONS; SPIN POLARIZED; SPIN-POLARIZED GROUND STATES;

PERIODIC STRUCTURES;

EID: 52949102155     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2008.06.007     Document Type: Article

References (28)

1. Geim A.K., and Novoselov K.S. Natur. Mater. 6 (2007) 183
2. Zhang Y.B., Tan Y.-W., Stormer H.L., and Kim P. Nature (London) 438 (2005) 201
3. Saito R., Fujita M., Dresselhaus G., and Dresselhaus M.S. Phys. Rev. B 46 (1992) 1804
4. Tit N., and Dharma-wardana M.W.C. Europhys. Lett. 62 (2003) 405
5. Gonzalez J. Phys. Rev. Lett. 88 (2002) 76403
6. Fujita M., Wakabayashi K., Nakada K., and Kusakabe K. J. Phys. Soc. Japan 65 (1996) 1920
7. Ezawa M. Phys. Rev. B 73 (2006) 045432
8. Brey L., and Fertig H.A. Phys. Rev. B 73 (2006) 235411
9. Hod O., Barone V., and Scuseria G.E. Phys. Rev. B 77 (2008) 035411
10. Pisani L., Chan J.A., Montanari B., and Harrison N.M. Phys. Rev. B 75 (2007) 064418
11. Yamashiro A., Shimoi Y., Harigaya K., and Wakabayashi K. Phys. Rev. B 68 (2003) 193410
12. Pereira Jr. J.M., Mlinar V., Peeters F.M., and Vasilopoulos P. Phys. Rev. B 74 (2006) 045424
13. Yang L., Park C.-H., Son Y.-W., Cohen M.L., and Louie S.G. Phys. Rev. Lett. 99 (2007) 186801
14. J.C. Meyer, A.K. Geim, M.I. Katsnelson, K.S. Novoselov, T.J. Booth, S. Roth 〈http://arxiv.org/pdf/cond-mat/0701379〉; J. Martin, N. Akerman, G. Ulbricht, T. Lohmann, J.H. Smet, K. von Klitzing, A. Yacoby 〈http://arxiv.org/pdf/cond-mat/0701379〉, arXiv:0705.2180.
15. Dharma-wardana M.W.C. J. Phys.: Condens. Matter 19 (2007) 386228
16. Peres N.M.R., Guinea F., and Castro Neto A.H. Phys. Rev. B 72 (2005) 174406
17. N.M.R. Peres, F. Guinea, A.H. Castro Neto, Phys. Rev. B 73 (2006) 125411;
18. T.O. Wehling, A.V. Balatsky, M.I. Katsnelson, A.I. Lichtenstein, K. Scharnberg, R. Wiesendanger, cont-mat/0609503.
19. Dharma-wardana M.W.C. Phys. Rev. B 75 (2007) 075427
20. Yazyev O.V., and Helm L. Phys. Rev. B 75 (2007) 125408
21. Lehtinen P.O., Foster A.S., Ayuela A., Krasheninnikov A., and Nieminen R.M. Phys. Rev. Lett. 93 (2004) 187202
22. Ma Y., Foster A.S., Krasheninnikov A.V., and Nieminen R.M. Phys. Rev. B 72 (2005) 205416
23. Regarding the VASP code, see G. Kress, J. Furthmüller, J. Hafner 〈http://cms.mpi.univie.ac.at/vasp/〉.
24. Frisch M.J., et al. Gaussian 98, Revision A.9 (1998), Gaussian Inc., Pittsburgh, PA
25. Becke A.D. J. Chem. Phys. 98 (1993) 5648
26. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
27. The 6-31G* basis and related acronyms are explained in Ref. [18].
28. Pereira V.M., Guinea F., Lopez dos Santos J.B.M., Peres N.M.R., and Castro Neto A.H. Phys. Rev. Lett. 96 (2006) 036801