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Ab initio electron theory for hard-magnetic rare-earth-transition-metal intermetallics

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Abstract

For the development of new hard-magnetic materials a better understanding of the physical mechanisms which determine the intrinsic magnetic material parameters are of invaluable importance. In this review it is demonstrated that the modern ab initio electron theory yields a considerable help in this direction and may provide data on quantities which are hard to determine reliably by experiments. As an example, theoretical results are reported for the intrinsic magnetic material parameters (local magnetic moments, local magnetic hyperfine fields, crystal-field parameters and effective exchange interactions) of the series R2Fe14B (R = rare earth).

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References

  1. K.H.J. Buschow: Rep. Prog. Phys. 54, 1123 (1991)

    Google Scholar 

  2. H. Kronmüller, K.-D. Durst, S. Hock, G. Martinek: J. Phys. (Paris) 49, C8–623 (1988)

    Google Scholar 

  3. M. Sagawa, S. Fujimura, N. Togawa, H. Yamamoto, Y. Matsuura: J. Appl. Phys. 55, 2083 (1984)

    Google Scholar 

  4. J.J. Croat, J.F. Herbst, R.W. Lee, F.E. Pinkerton: J. Appl. Phys. 55, 2078 (1984)

    Google Scholar 

  5. D.B. de Mooij, K.H.J. Buschow: J. Less-Common. Met. 142, 349 (1988)

    Google Scholar 

  6. P.C.M. Gubbens, A.M. van der Kraan, T.H. Jacobs, K.H.J. Buschow: J. Magn. & Magn. Mater. 80 265 (1989)

    Google Scholar 

  7. J.M.D. Coey, H. Sun: J. Magn. Magn. Mater. 87, L251 (1990)

  8. H. Sun, J.M.D. Coey, Y. Otani, D.P.F. Hurley: J. Phys: Cond. Matter 2, 6465 (1990)

    Google Scholar 

  9. T. Beuerle, M. Fähnle: Phys. Status Solidi (b) 174, 257 (1992)

    Google Scholar 

  10. B. Szpunar, J.A. Szpunar: J. Appl. Phys. 57, 4130 (1985)

    Google Scholar 

  11. J. Inoue, M. Shimizu: J. Phys. F16, 1051 (1986)

    Google Scholar 

  12. Z.Q. Gu, W.Y. Ching: Phys. Rev. B36, 8530 (1987)

    Google Scholar 

  13. T. Itoh, K. Hikosaka, H. Takahashi, T. Ukai, N. Mori: J. Appl. Phys. 61, 3430 (1987)

    Google Scholar 

  14. X.-F. Zhong, W.Y. Ching: Phys. Rev. B39, 12018 (1989)

    Google Scholar 

  15. O.K. Andersen: Phys. Rev. B12, 3060 (1975)

    Google Scholar 

  16. O.K. Andersen, O. Jepsen: Phys. Rev. Lett. 53, 2571 (1984)

    Google Scholar 

  17. A.R. Williams, J. Kübler, C.D. Gelatt, Jr.: Phys. Rev. B19, 6094 (1979)

    Google Scholar 

  18. R. Coehoorn: In Supermagnets, Hard Magnetic Materials, Lecture Notes Nato-ASI, ed. by G.J. Long, F. Grandjean (Kluwer, Dordrecht 1991) p. 133

    Google Scholar 

  19. R. Coehoorn: In Electron Theory in Alloy Design, ed. by A. Cottrell, D.G. Pettifor (1992)

  20. R. Coehoorn: J. Magn. & Magn. Mater. 99, 55 (1991)

    Google Scholar 

  21. R. Coehoorn, K.H.J. Buschow: J. Appl. Phys. 69, 5590 (1991)

    Google Scholar 

  22. S.S. Jaswal: Phys. Rev. B41, 9697 (1990)

    Google Scholar 

  23. L. Nordström, B. Johansson, M.S.S. Brooks: J. Appl. Phys. 69, 5708 (1991)

    Google Scholar 

  24. K. Hummler, M. Fähnle: Phys. Rev. B45, 3161 (1992)

    Google Scholar 

  25. K. Hummler, T. Beuerle, M. Fähnle: J. Magn. & Magn. Mater. 115, 207 (1992)

    Google Scholar 

  26. M. Liebs, K. Hummler, M. Fähnle: Phys. Rev. B46, 11201 (1992)

    Google Scholar 

  27. K. Hummler, M. Liebs, T. Beuerle, M. Fähnle: To be published in Int. J. Phys.

  28. M. Fähnle, K. Hummler, T. Beuerle, M. Liebs: In Computer Aided Innovation of New Materials II, ed. by M. Doyama, J. Kihara, M. Tanaka, R. Yamamoto (Elsevier, Amsterdam 1933) p. 209

    Google Scholar 

  29. M.S.S. Brooks, L. Nordström, B. Johansson: J. Phys.: Cond. Matter 3, 2357 (1991), 3393 (1991)

    Google Scholar 

  30. D.D. Koelling, B.N. Harmon: J. Phys. C10, 3107 (1977)

    Google Scholar 

  31. H. Akai, M. Akai, S. Blügel, B. Drittler, H. Ebert, K. Terakura, R. Zeller, P.H. Dederichs: Prog. Theor. Phys. 101, 11 (1990)

    Google Scholar 

  32. U. von Barth, L. Hedin: J. Phys. C5, 1629 (1972)

    Google Scholar 

  33. V.L. Moruzzi, J.F. Janak, A.R. Williams: In Calculated Electronic Properties of Metals (Pergamon, New York 1978)

    Google Scholar 

  34. O.K. Andersen, O. Jepsen, D. Glötzel: In Highlights of Condensed-Matter Theory ed. by F. Bassani, F. Fumi, M.P. Tosi (North-Holland, New York 1985) p. 11

    Google Scholar 

  35. D. Givord, H.S. Li, J.M. Moreau: Solid State Commun. 50, 497 (1984)

    Google Scholar 

  36. J.M.D. Coey: J. Less-Common Met. 126, 21 (1986)

    Google Scholar 

  37. D. Givord, H.S. Li, F. Tasset: J. Appl. Phys. 57, 4100 (1985)

    Google Scholar 

  38. J.F. Herbst, J.J. Croat, F.E. Pinkerton, W.B. Yelon: Phys. Rev. B29, 4176 (1984)

    Google Scholar 

  39. J.F. Herbst, J.J. Croat, W.B. Yelon: J. Appl. Phys. 57, 4086 (1985)

    Google Scholar 

  40. C.B. Shoemaker, D.P. Shoemaker, R. Fruchart: Acta Cryst. C40, 1665 (1984)

    Google Scholar 

  41. R.M. Moon: Int. J. Magn. 1, 219 (1971)

    Google Scholar 

  42. G.J. Long, R. Kulasekere, O.A. Pringle, F. Grandjean, K.H.J. Buschow: J. Magn. & Magn. Mater. 117, 239 (1992)

    Google Scholar 

  43. R. Coehoorn, C.J.M. Denissen, R. Eppenga: J. Appl. Phys. 69, 6222 (1991)

    Google Scholar 

  44. R. Fruchart, P. L'Heritier, P. Dalmas de Réotier, D. Fruchart, P. Wolfers, J.M.D. Coey, L.P. Ferreira, R. Guillen, P. Vulliet, A. Yaouanc: J. Phys. F17, 483 (1987)

    Google Scholar 

  45. H. Ebert, H. Winter, D.D. Johnson, F.J. Pinski: J. Phys.: Cond. Matter 2, 443 (1990)

    Google Scholar 

  46. T. Beuerle, M. Fähnle: J. Magn. Magn. Mater. 110, L29 (1992)

  47. T. Beuerle: Dissertation, University of Stuttgart (1993)

  48. H. Onodera, A. Fujita, H. Yamamoto, M. Sagawa, S. Hirosawa: J. Magn. & Magn. Mater. 68, 6 (1987)

    Google Scholar 

  49. M. Rosenberg, P. Deppe, Th. Sinnemann: Hyperfine Interact. 45, 3 (1989)

    Google Scholar 

  50. Y.D. Zhang, J.I. Budnick, D.P. Yang, E. Potenziani II., A.T. Pedziwiatr, W.E. Wallace, M. Sagawa: J. Magn. & Magn. Mater. 79, 136 (1989)

    Google Scholar 

  51. K.H.J. Buschow, A.M. van Diepen, H.W. de Wijn: Solid State Commun. 15, 903 (1974)

    Google Scholar 

  52. R.J. Radwański: J. Magn. & Magn. Mater. 62, 120 (1986)

    Google Scholar 

  53. K.W.H. Stevens: Proc. Phys. Soc. A65, 209 (1952)

    Google Scholar 

  54. R.J. Radwánski, J.J.M. Franse: J. Magn. & Magn. Mater. 74, 43 (1988)

    Google Scholar 

  55. J.M.D. Coey, H.S. Li, J.P. Gavigan, J.M. Cadogan, B.P. Hu: In Concerted European Action on Magnets, ed. by I.V. Mitchell et al. (Elsevier, London 1989) p. 76

    Google Scholar 

  56. H. Oesterreicher, F.T. Parker: Phys. Status Solidi (a) 58, 585 (1980)

    Google Scholar 

  57. S. Adam, Gh. Adam, E. Burzo: J. Magn. & Magn. Mater. 61, 260 (1986)

    Google Scholar 

  58. F.R. de Boer, R. Boom, W.C.M. Mattens, A.R. Miedema, A.K. Niessen: Cohesion in Metals: Transition Metal Alloys (North-Holland, Amsterdam 1988)

    Google Scholar 

  59. G.H.O. Daalderop, P.J. Kelly, M.F.H. Schuurmans: J. Magn. & Magn. Mater. 104–107, 737 (1992)

    Google Scholar 

  60. R. Coehoorn, G.H.O. Daalderop: J. Magn. & Magn. Mater. 104–107, 1081 (1992)

    Google Scholar 

  61. M. Richter, P.M. Oppeneer, H. Eschrig, B. Johansson: Phys. Rev. B46, 13919 (1992)

    Google Scholar 

  62. A.J. Freeman, R.E. Watson: Phys. Rev. 127, 2058 (1962)

    Google Scholar 

  63. M. Yamada, H. Kato, H. Yamamoto, Y. Nakagawa: Phys. Rev. B38, 620 (1988)

    Google Scholar 

  64. D.J. Sellmyer, M.A. Eberhardt, S.S. Jaswal, A.J. Arko: Phys. Rev. Lett. 60, 2077 (1988)

    Google Scholar 

  65. H. Ebert: private communication

  66. M. Loewenhaupt, I. Sosnowska, A. Taylor, R. Osborn: J. Appl. Phys. 69, 5593 (1991)

    Google Scholar 

  67. S.S. Peng, H.J.F. Jansen: Phys. Rev. B43, 3518 (1991)

    Google Scholar 

  68. A.I. Liechtenstein, M.I. Katsnelson, V.P. Antropov, V.A. Gubanov: J. Magn. & Magn. Mater. 67, 65 (1987)

    Google Scholar 

  69. D. Givord, H.S. Li, J.M. Cadogan, J.M.D. Coey, J.P. Gavigan, O. Yamada, H. Maruyama, M. Sagawa, S. Hirosawa: J. Appl. Phys. 63, 3713 (1988)

    Google Scholar 

  70. R.J. Radwański, X.P. Zhong, F.R. de Boer, F.M. Yang, J.Y. Li, T. Kohashi, M. Ono, M. Date, A. Yamagishi: J. Magn. & Magn. Mater. 104–107, 1139 (1992)

    Google Scholar 

  71. X.C. Kou, T.S. Zhao, R. Grössinger, H.R. Kirchmayr, X. Li, F.R. de Boer: Phys. Rev. B46, 11204 (1992)

    Google Scholar 

  72. T.S. Zhao, H. Jin, Y. Zhu: J. Magn. & Magn. Mater. 79, 159 (1989)

    Google Scholar 

  73. E. Belorizky, M.A. Fremy, J.P. Gavigan, D. Givord, H.S. Li: J. Appl. Phys. 61, 3971 (1987)

    Google Scholar 

  74. M.S.S. Brooks, T. Gasche, S. Auluck, L. Nordström, L. Severin, J. Trygg, B. Johansson: J. Magn. & Magn. Mater. 104–107, 1381 (1992)

    Google Scholar 

  75. The authors are indebted to M.S.S. Brooks for commenting on this point in a private communication

  76. I.A. Campbell: J. Phys. F2, L47 (1972)

  77. H.-S. Li, Y.P. Li, J.M.D. Coey: J. Magn. & Magn. Mater. 104–107, 1444 (1992)

    Google Scholar 

  78. M. Loewenhaupt: private communication

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Fähnle, M., Hummler, K., Liebs, M. et al. Ab initio electron theory for hard-magnetic rare-earth-transition-metal intermetallics. Appl. Phys. A 57, 67–76 (1993). https://doi.org/10.1007/BF00331219

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