Surface Relaxation Effect on the Magnetism of Fe Overlayer on Cr (001)

  • Kim, I.G. (Inha University) ;
  • Lee, J.I. (Inha University) ;
  • Jang, Y.R. (Department of Physics, University of Inchon) ;
  • Hong, C.S (Univeristy of Ulsan)
  • Published : 1996.06.01

Abstract

The effects of surface relaxation on surface and interface magnetism in Fe/Cr (001) are investigated using the highly precise all-electron total-energy full-potential linearized augmented plane wave method. The Fe-Cr interlayer spacing is deter-mined by total-energy calculation and it is found to be relaxed downward by 18%. For the relaxed system, the magnetic moment of surface Fe is highly suppressed to be $1.72\mu_B$compared to the unrelaxed case ($2.39\mu_B$). This reduction of magnetic moment is considered as a result of the enhanced hybridization between Fe-d and Cr-d states, which can be seen from the calculated density of states. This work suggests the importance of effect of relaxation to the surface and interface magnetism in Fe/Cr system.

Keywords

References

  1. Phy. Rev. B v.24 E. Wimmer;H. Krakauer;M. Weinert;A. J. Freeman
  2. Phys. Rev. B v.21 M. Posternak;H. Krakauer;A. J. Freeman;D. D. Koelling
  3. Phys. Rev. B v.28 S. Ohnishi;A. J. Freeman;M. Weinert
  4. Phy. Rev. B v.30 A. M. Turner;J. L. Erskine
  5. Phys. Rev. B v.30 E. Wimmer;A. J. Freeman;H. Krakauer
  6. Phys. Rev. Lett. v.45 J. L. Erskine
  7. Phys. Rev. B v.33 C. L. Fu;A. J. Freeman
  8. Phys. Rev. B v.30 L. E. Klebanoff;S. W. Robey;G. Liu;D. A. Shirley
  9. Phys. Rev. B v.31 G. Zajac;S. D. Bader;R. J. Friddle
  10. Phys. Rev. B v.31 R. H. Victora;L. M. Falicov
  11. Phys. Rev. Lett. v.524 C. L. Fu;A. J. Freeman;T. Oguchi
  12. Phys. Rev. Lett. v.57 P. Grunberg;R. Schreiber;Y. Pang;M. N. Brodsky;H. Sowes
  13. Phys. Rev. Lett. v.61 M. N. Baibich;J. M. Broto;A. Fert;F. N. Van Dau;F. Petroff;P. Eitenne;G. Creuzet;A. Friederich;J. Chazelus
  14. Phys. Rev. B v.47 Jian-hua Xu;A. J. Freeman
  15. Phys. Rev. B v.51 J. -S. Kang;D. W. Hwang;J. H. Hong;J. I. Jeong;H. K. Park;J. H. Moon;Y. D. Lee;P. Benning;C. G. Olson;S. J. Youn;B. I. Min
  16. J. Phys. C v.10 D. D. Koelling;B. N. Harmon
  17. J. Phys. C v.5 U. von Barth;L. Hedin
  18. J. Phys. C v.4 L. Hedin;B. I. Lundqvist
  19. Phys. Rev. B v.38 S. C. Hong;A. J. Freeman;C. L. Fu
  20. Phys. Rev. B v.47 J. I. Lee;S. C. Hong;A. J. Freeman;C. L. Fu
  21. Classical Electrodynamics J. D. Jackson