Journal of Magnetics

The Korean Magnetics Society (한국자기학회)
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Magnetism and Magnetocrystalline Anisotropy at fcc Fe (001) Surface

  • Published : 2008.12.31
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Abstract

The size and surface effects on the magnetism of a fcc Fe (001) surface was investigated by performing firstprinciples calculations on 3, 5, 7, and 9 monolayers fcc Fe (001) single slabs with two different two-dimensional lattice constants, ${\alpha}=3.44{\AA}$ (System I) and 3.65 ${\AA}$ (System II), using the all-electron full-potential linearized augmented plane wave method within a generalized gradient approximation. The surface layers were coupled ferromagnetically to the subsurface layer in both systems. However, the magnetism of the inner layers was quite different from each other. While all the inner layers of System II were ferromagnetically coupled in the same way as the surface layer, the inner layers of System I showed a peculiar magnetism, bilayer antiferromagnetism. The calculated spin magnetic moments per Fe atom were approximately 2.7 and 2.9 ${\mu}_B$ at the surface for Systems I and II, respectively, due to the almost occupied Fe d-state being in the majority spin state and band narrowing. The spin orientations of System I were out-of-plane regardless of its thickness, whereas the orientation of System II changed from out-of-plane to in-plane with increasing thickness.

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References

  1. W. Kim, S. C. Hong, J. Seo, S.-J. Oh, H. G. Min, and J.- S. Kim, Phys. Rev. B 70, 174453 (2004) https://doi.org/10.1103/PhysRevB.70.174453
  2. S. C. Hong, J. Korean Phys. Soc. 53, 1525 (2008) https://doi.org/10.3938/jkps.53.1525
  3. W. Kim, S.-J. Oh, J. Seo, H. G. Min, S. C. Hong, and J.- S. Kim, Phys. Rev. B 65, 205407 (2002) https://doi.org/10.1103/PhysRevB.65.205407
  4. S. C. Hong, J. I. Lee, and R. Wu, Phys. Rev. B 75, 172402 (2007) https://doi.org/10.1103/PhysRevB.75.172402
  5. V. L. Moruzzi, P. M. Marcus, and J. Kübler, Phys. Rev. B 39, 6957 (1989) https://doi.org/10.1103/PhysRevB.39.6957
  6. L. T. Kong and B. X. Liu, Appl. Phys. Lett. 84, 3627 (2004) https://doi.org/10.1063/1.1738516
  7. M. Marsman and J. Hafner, Phys. Rev. B 66, 224409 (2002) https://doi.org/10.1103/PhysRevB.66.224409
  8. S. L. Qiu and P. M. Marcus, Phys. Rev. B 60, 14533 (1999) https://doi.org/10.1103/PhysRevB.60.14533
  9. D. Lee and S. C. Hong, J. Magnetics 12(2), 68 (2007) https://doi.org/10.4283/JMAG.2007.12.2.068
  10. Dongkook Lee, M.S. Thesis, University of Ulsan, Korea (2007)
  11. S. D. Choi, H. W. Joo, D. K. Yun, M. S. Lee, K. A. Lee, H. S. Lee, S. W. Kim, S. S. Lee, and D. G. Hwang, J. Magnetics 11(2), 70 (2006) https://doi.org/10.4283/JMAG.2006.11.2.070
  12. K.-H. Han, J.-G. Kim, J.-H. Cho, and S.-M. Lee, J. Magnetics 11(2), 77 (2006) https://doi.org/10.4283/JMAG.2006.11.2.077
  13. D. A. Steigerwald, I. Jacob, and W. F. Egelhoff, Jr., Surf. Sci. 202, 472 (1988) https://doi.org/10.1016/0039-6028(88)90048-9
  14. S. Müller, P. Bayer, C. Reishl, K. Jeubz, B. Feldmann, H. Zillgen, and M. Wutting, Phys. Rev. Lett. 74, 765 (1995) https://doi.org/10.1103/PhysRevLett.74.765
  15. S. H. Lu, J. Quinn, D. Tian, F. Jona and P. M. Marcus, Surf. Sci. 209, 364 (1989) https://doi.org/10.1016/0039-6028(89)90081-2
  16. C. L. Fu and A. J. Freeman, Phys. Rev. B 35, 35925 (1987)
  17. T. Asada and S. Blügel, Phys. Rev. Lett. 79, 507 (1997) https://doi.org/10.1103/PhysRevLett.79.507
  18. D. Spišák and J. Hafner, Phys. Rev. B 61, 16129 (2000) https://doi.org/10.1103/PhysRevB.61.16129
  19. D. Spisak and J. Hafner, Phys. Rev. Lett. 88, 056101 (2002) https://doi.org/10.1103/PhysRevLett.88.056101
  20. E. Wimmer, H. Krakauer, M. Weinert, and A. J. Freeman, Phys. Rev. B 24, 864 (1981) and references therein https://doi.org/10.1103/PhysRevB.24.864
  21. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996) https://doi.org/10.1103/PhysRevLett.77.3865
  22. M. Straub, R. Vollmer, and J. Kirschner, Phys. Rev. Lett. 77, 743 (1996) https://doi.org/10.1103/PhysRevLett.77.743
  23. T. Kraft, P. M. Marcus, and M. Scheffler, Phys. Rev. B 49, 11511 (1994) https://doi.org/10.1103/PhysRevB.49.11511
  24. Won Seok Yun and Soon C. Hong, to be submitted to Journal of Korean Magn. Soc. written in Korean
  25. P. A. Montano, G. W. Fernando, B. R. Cooper, E. R. Moog, H. M. Naik, S. D. Bader, Y. C. Lee, Y. N. Darici, H. Min, and J. Marcano, Phys. Rev. Lett. 59, 1041 (1987) https://doi.org/10.1103/PhysRevLett.59.1041
  26. X. Wang, R. Wu, D.-S. Wang, and A. J. Freeman, Phys. Rev. B 54, 61 (1996) https://doi.org/10.1103/PhysRevB.54.61

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