Journal of the Korean Magnetics Society (한국자기학회지)

The Korean Magnetics Society (한국자기학회)
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First-principles Study on the Magnetism and Electronic Structure of (CrAs)3(MnAs)3(110) Superlattice

(CrAs)3(MnAs)3(110) 초격자의 전자구조와 자성에 대한 제일원리 연구

  • Lee, J.I. (Department of Physics, Inha University) ;
  • Hong, S.C. (Department of Physics, University of Ulsan)
  • Published : 2006.04.01
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Abstract

We investigated the magnetism and electronic structures for the layered structures consisting of (110) layers of zinc-blende CrAs and MnAs. We calculated the electronic structures for $(CrAs)_3(MnAs)_3(110)$ superlattice consisted of alternating three layers of CrAs(110) and MnAs(110) by the full-potential linearized augmented plane wave (FLAPW) method. The calculated magnetic moment of Cr in interface layer ($3.07\;\mu_B$) was slightly larger than that of Cr atom in center layer ($3.06\;\mu_B$), while that of interface Mn atom ($3.74\;\mu_B$) was slightly smaller than the value of Mn atom in center layer ($3.76\;\mu_B$). The electronic structure and half-metallicity in this superlattice were discussed using the calculated density of states.

Zinc-blonde 구조를 가지는 CrAs와 MnAs에서 (110)면 원자층으로 이루어진 초격자의 자성을 제일원리 방법을 이용하여 연구하였다. 이를 위해 CrAs와 MnAs의 (110)층이 각기 세 층씩 교대로 반복되는 $(CrAs)_3(MnAs)_3(110)$ 초격자계의 전자구조를 총 퍼텐셜 선형보강평면파동(FLAPW) 에너지띠 방법을 이용하여 계산하였다. Cr-As로 이루어진 층과 Mn-As로 이루어진 층이 접합되는 계면에 있는 Cr과 Mn원자의 자기모멘트를 계산한 결과 각기 $3.07\;\mu_B$와 $3.74\;\mu_B$로 가운데 층의 Cr과 Mn의 자기모멘트 값인 $3.06\;\mu_B$와 $3.76\;\mu_B$보다 약간 크거나 작았다. 계산된 상태밀도로부터 이 계의 전자구조와 반쪽금속성을 고찰하였다.

Keywords

References

  1. R. A. de Groot, F. M. Mueller, P. G. van Engen, and K. H. J. Buschow, Phys. Rev. Lett., 50, 2024 (1983) https://doi.org/10.1103/PhysRevLett.50.2024
  2. K. Schwarz, J. Phys. F: Met. Phys., 16, L211 (1986) https://doi.org/10.1088/0305-4608/16/9/002
  3. K.-I. Kobayashi, T. Kimura, H. Sawada, K. Terakura, and Y. Tokura, Nature, 395, 677 (1998) https://doi.org/10.1038/27167
  4. W. C. Kim, K. Kawaguchi, N. Koshizaki, M. Sohma, and T. Matsumoto, J. Appl. Phys., 93, 8032 (2003) https://doi.org/10.1063/1.1557337
  5. R. Yamamoto, A. Machida, Y. Moritomo, and A. Nakamura, Phys. Rev. B, 59, R7793 (1999) https://doi.org/10.1103/PhysRevB.59.R7793
  6. S. Ishida, T. Masaki, S. Fujii, and S. Asano, Physica B, 245, 1 (1998) https://doi.org/10.1016/S0921-4526(97)00495-X
  7. Ph. Mavropoulos, I. Galanakis, and P. H. Dederichs, J. Phys.: Condens. Matter, 16, 4261 (2004) https://doi.org/10.1088/0953-8984/16/24/008
  8. H. Akinaga, T. Manago, and M. Shirai, Jpn. J. Appl. Phys., 39, L1118 (2000) https://doi.org/10.1143/JJAP.39.L1118
  9. M. Mizuguchi, H. Akinaga, T. Manago, K. Ono, M. Oshima, M. Shirai, M. Yuri, H. J. Lin, H. H. Hsieh, and C. T. Chen, J. Appl. Phys., 91, 6518 (2002)
  10. A. Continenza, S. Picozzi, W. T. Geng, and A. J. Freeman, Phys. Rev. B, 64, 085204 (2001) https://doi.org/10.1103/PhysRevB.64.085204
  11. J. E. Pask, L. H. Yang, C. Y. Fong, W. E. Pickett, and S. Dag, Phys. Rev. B, 67, 224420 (2003) https://doi.org/10.1103/PhysRevB.67.224420
  12. W.-H. Xie, B.-G. Liu, and D. G. Pettifor, Phys. Rev. B, 68, 134407 (2003) https://doi.org/10.1103/PhysRevB.68.134407
  13. S. Sanvito and N. A. Hill, Phys. Rev. B, 62, 15553 (2000) https://doi.org/10.1103/PhysRevB.62.15553
  14. M. Shirai, J. Appl. Phys., 93, 6844 (2003) https://doi.org/10.1063/1.1558604
  15. M. Shirai, J. Phys.: Condens. Matter, 16, S5525 (2004) https://doi.org/10.1088/0953-8984/16/48/007
  16. I. Galanakis and Ph. Mavropoulos, Phys. Rev. B, 67, 104417 (2003) https://doi.org/10.1103/PhysRevB.67.104417
  17. J. H. Zhao, F. Matsukura, K. Takamura, E. Abe, D. Chiba, and H. Ohno, Appl. Phys. Lett., 79, 2776 (2001) https://doi.org/10.1063/1.1413732
  18. K. Nagao, M. Shirai, and Y. Miura, J. Appl. Phys., 95, 6518 (2004) https://doi.org/10.1063/1.1687553
  19. C. Y. Fong, M. C. Quin, J. E. Pask, L. H. Yang, and S. Dag, Appl. Phys. Lett., 84, 239 (2004) https://doi.org/10.1063/1.1639934
  20. E. Wimmer, H. Krakauer, M. Weinert, and A. J. Freeman, Phys. Rev. B, 24, 864 (1981) https://doi.org/10.1103/PhysRevB.24.864
  21. M. Weinert, E. Wimmer, and A. J. Freeman, Phys. Rev. B., 26, 4571 (1982) https://doi.org/10.1103/PhysRevB.26.4571
  22. P. Hohenberg and W. Kohn, Phys. Rev., 136, B864 (1964) https://doi.org/10.1103/PhysRev.136.B864
  23. W. Kohn and L. J. Sham, Phys. Rev., 140, A1133 (1965) https://doi.org/10.1103/PhysRev.140.A1133
  24. D. D. Koelling and B. N. Harmon, J. Phys. C, 10, 3107 (1977) https://doi.org/10.1088/0022-3719/10/16/019
  25. J. P. Perdew and Y. Wang, Phys. Rev. B, 45, 13 244 (1992)