DFT investigation of the influence of ordered vacancies on elastic and magnetic properties of graphene and graphene-like SiC and BN structures

Physica Status Solidi (B) Basic Research

Volumn 249, Issue 12, 2012, Pages 2549-2552

  Fedorov, A S ^a   Popov, Z I ^a   Fedorov, D A ^a   Eliseeva, N S ^b   Serjantova, M V ^b   Kuzubov, A A ^b  

^a KIRENSKY INSTITUTE OF PHYSICS   (Russian Federation)

^b SIBERIAN FEDERAL UNIVERSITY   (Russian Federation)

Author keywords

Boron nitride; Carbon silicide; Elastic properties; Graphene; Magnetic properties; Vacancies

Indexed keywords

BORON NITRIDE; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELASTICITY; FERROMAGNETIC MATERIALS; FERROMAGNETISM; GRAPHENE; III-V SEMICONDUCTORS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; NITRIDES; SILICIDES; SILICON; SILICON CARBIDE; STRAIN; VACANCIES;

ANTIFERROMAGNETIC ORDERINGS; APPLIED STRAIN; ELASTIC PROPERTIES; GRAPHENE LIKES; LINEAR DEPENDENCE; LOCAL MAGNETIC MOMENTS; MIGRATION RATES; MONOVACANCIES;

STRUCTURAL PROPERTIES;

EID: 84872369272     PISSN: 03701972     EISSN: 15213951     Source Type: Journal    
DOI: 10.1002/pssb.201200105     Document Type: Article

References (33)

1. K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, and A. A. Firsov, Science 306(5696), 666 (2004).
2. A. H. Castro Neto, F. Guinea, N. M. R. Peres, et al., Rev. Mod. Phys. 81(1), 109 (2009).
3. C. Lee, X. Wei, J. W. Kysar, and J. Hone, Science 321, 385 (2008).
4. A. J. Leggett, Rev. Mod. Phys. 47, 331 (1975).
5. M. Terrones, H. Terrones, F. Banhart, J.-C. Charlier, and P. M. Ajayan, Science 288, 1226 (2000).
6. P. M. Ajayan, V. Ravikumar, and J.-C. Charlier, Phys. Rev. Lett. 81, 1437 (1998).
7. A. A. El-Barbary, R. H. Telling, N. P. Ewels, M. I. Heggie, and P. R. Briddon, Phys. Rev. A 68, 144107 (2003).
8. S. L. Mielke, D. Troya, S. Zhang, J. Li, S. Xiao, R. Car, et al., Chem. Phys. Lett. 390, 413 (2004).
9. Y. Ma, P. O. Lehtinen, A. S. Foster, and R. M. Nieminen, New J. Phys. 6, 68 (2004).
10. K. Han, D. Spemann, P. Esquinazi, R. Hohne, V. Riede, and T. Butz, Adv. Mater. 15, 1719 (2003).
11. P. Esquinazi, D. Spemann, R. Hohne, A. Setzer, Ê. H. Han, and T. Butz, Phys. Rev. Lett. 91, 227201 (2003).
12. J. Cervenka, M. I. Katsnelson, and C. F. J. Flipse, Nature Phys. 5, 840 (2009).
13. P. Esquinazi et al., Phys. Rev. Lett. 91, 227201 (2003).
14. M. M. Ugeda, I. Brihuega, F. Guinea, et al., Phys. Rev. Lett. 104, 096804 (2010).
15. M. Fujita, K. Wakabayashi, K. Nakada, et al., J. Phys. Soc. Jpn. 65, 1920 (1996).
16. N. Park et al., Phys. Rev. Lett. 91, 237204 (2003).
17. J.-H. Chen, L. Li, W. G. Cullen, et al., Nature Phys. 7, 535 (2011).
18. O. V. Yazyev and L. Helm, Phys. Rev. B 75, 125408 (2007).
19. P. O. Lehtinen, A. S. Foster, A. Ayuela, A. Krasheninnikov, K. Nordlund, and R. M. Nieminen, Phys. Rev. Lett. 91, 017202 (2003).
20. P. O. Lehtinen, A. S. Foster, Y. Ma, A. V. Krasheninnikov, and R. M. Nieminen, Phys. Rev. Lett. 93, 187202 (2004).
21. X. He, T. He, Z. Wang, and M. Zhao, Physica E 42, 2451 (2010).
22. A. Zywietz, J. Furthmuller, and F. Bechstedt, Phys. Rev. B 62, 6854 (2000).
23. S. Azevedo, J. R. Kaschny, et al., Eur. Phys. J. B 67, 507 (2009).
24. M. V. Serzhantova, A. A. Kuzubov, A. S. Fedorov, et al., J. Exp. Theor. Phys. 112(3), 664 (2011).
25. G. Kresse, J. Hafner, et al., Phys. Rev. B 47, 558 (1993).
26. G. Kresse, J. Hafner, et al., Phys. Rev. B 49, 14251 (1994).
27. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
28. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
29. L. Liu, Y. P. Feng, and Z. X. Shen, Phys. Rev. B 68, 104102 (2003).
30. G. Henkelman, B. P. Uberuaga, and H. Jónsson, J. Chem. Phys. 113, 9901 (2000).
31. G. H. Vineyard, J. Phys. Chem. Solids 3, 121 (1957).
32. A. S. Fedorov, P. B. Sorokin, and A. A. Kuzubov, Phys. Status Solidi B 245, 1546 (2008).
33. M. Sherafati and S. Satpathy, Phys. Rev. B 83, 165425 (2011).