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Modern Electronic Structure Theory for Complex Properties of Magnetic Materials

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Surface Effects in Magnetic Nanoparticles

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References

  1. R.Q. Wu and A.J. Freeman, J. Magn. Magn. Mater. 200 (1999) 498; 100 (1991) 497.

    Article  ADS  Google Scholar 

  2. See review articles in volume 200 of J. Magn. Magn. Mater.

    Google Scholar 

  3. P. Hohenberg and W. Kohn, Phys. Rev. 136 (1964) B864.

    Article  ADS  MathSciNet  Google Scholar 

  4. W. Kohn and L. J. Sham, Phys. Rev. 140 (1965) A1133.

    Article  ADS  MathSciNet  Google Scholar 

  5. M. Born and R. Oppenheimer, Ann. Phys. Lpz. 84 (1927) 124.

    Google Scholar 

  6. J. von Barth and L. Hedin, J. Phys. C 5, 1629 (1972).

    Article  ADS  Google Scholar 

  7. O. Gunnarsson, B. I. Lundqvist, and S. Lundqvist, Solid State Commun. 11, 149 (1972).

    Article  ADS  Google Scholar 

  8. L. Hedin and B. I. Lundqvist, J. Phys. C 4, 2064 (1971).

    Article  ADS  Google Scholar 

  9. J. P. Perdew, J. A. Chevay, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).

    Article  ADS  Google Scholar 

  10. B. G. Johnson, P. M. W. Gill, and J. A. Pople, J. Chem. Phys. 98, 5612 (1993).

    Article  ADS  Google Scholar 

  11. A. D. Becke, in The Xhallenge of d and f Electrons, ACS Symposium Series No. 394, edited by D. R. Salahub and M. C. Zerne (American Chemical Society, Washington, DC, 1989), p. 165.

    Google Scholar 

  12. A. Garcia, C. Elsaesser, J. Zhu, S. Louie, and M. L. Cohen, Phys. Rev. B 46, 9829 (1992).

    Article  ADS  Google Scholar 

  13. Y.-M. Juan, E. Kaxiras, and R. G. Gordon, Phys. Rev. B 51, 9521 (1995).

    Article  ADS  Google Scholar 

  14. A. Dal Corso, A. Pasquello, A. Baldereshi, and R. Car, Phys. Rev. B 53, 1180 (1996).

    Article  ADS  Google Scholar 

  15. M. Körling and J. Häglund, Phys. Rev. B 45, 13293 (1992).

    Article  ADS  Google Scholar 

  16. P. H. T. Philipsen, G. te Velde, and E. J. Baerends, Chem. Phys. Lett. 226, 583 (1994).

    Article  ADS  Google Scholar 

  17. P. Hu, D. A. King, S. Crampin, M.-H. Lee, and M. C. Payne, Chem. Phys. Lett. 230, 501 (1994).

    Article  ADS  Google Scholar 

  18. D. Porezag and M. R. Pederson, J. Chem. Phys. 102, 9345 (1995).

    Article  ADS  Google Scholar 

  19. J. Baker, M. Muir, and J. Andzelm, J. Chem. Phys. 102, 2063 (1995).

    Article  ADS  Google Scholar 

  20. B. Hammer, K. W. Jacobsen and J. K. Norskov, Phys. Rev. Lett. 70, 3971 (1993).

    Article  ADS  Google Scholar 

  21. B. Hammer, M. Scheffler, K. W. Jarcobsen, and J. K. Norskov, Phys. Rev. Lett. 73, 1400 (1994).

    Article  ADS  Google Scholar 

  22. T. C. Leung, C. T. Chan, and B. N. Harmon, Phys. Rev. B 44, 2923 (1991).

    Article  ADS  Google Scholar 

  23. N. Moll, M. Bockstedte, M. Fuchs, E. Pehlke, and M. Scheffler, Phys. Rev. B 52, 2550 (1995).

    Article  ADS  Google Scholar 

  24. D. R. Hamann, Phys. Rev. Lett. 76, 660 (1996).

    Article  ADS  Google Scholar 

  25. A. D. Becke, Phys. Rev. A 38, 3098 (1988); J. P. Perdew, Phys. Rev. B 33, 8822 (1986); Phys. Rev. B 34, 7406 (1986).

    Article  ADS  Google Scholar 

  26. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).

    Article  ADS  Google Scholar 

  27. M. Fuchs, M. Bockstedte, E. Pehlke, and M. Scheffler, Phys. Rev. B 57, 2134–2145 (1998).

    Article  ADS  Google Scholar 

  28. E. Wimmer, H. Krakauer, M. Weinert, and A. J. Freeman, Phys. Rev. B 24 (1981) 864; M. Weinert, E. Wimmer, and A. J. Freeman, Phys. Rev. B 26 (1982) 4571, and references therein.

    Article  ADS  Google Scholar 

  29. G.H.O. Daalderop, P.J. Kelly, and M.F.H. Schuurmans, Phys. Rev. B 42 (1990) 1533; A.R. Mackintosh and O.K. Andersen, in Electrons at the Fermi Surface, edited by M. Springford (Cambridge University Press, Cambridge, 1980).

    Article  Google Scholar 

  30. X.D. Wang, D.S. Wang, R.Q. Wu, and A.J. Freeman, J. Magn. Magn. Mater. 159 (1996) 337.

    Article  ADS  Google Scholar 

  31. J.G. Gay and R. Richter, Phys. Rev. Lett. 56 (1986) 2728; C. Li, A.J. Freeman, H.J.F. Jansen, and C.L. Fu, Phys. Rev. B 42 (1990) 5433; G.Y. Guo, W.M. Temmerman, and H. Ebert, J. Phys. C 3 (1991) 8205; J. Magn. Magn. Mater. 104–107 (1992) 1772.

    Article  ADS  Google Scholar 

  32. D.S. Wang, R.Q. Wu, and A.J. Freeman, Phys. Rev. Lett. 70 (1993) 869; 71 (1993) 2166.

    Article  ADS  Google Scholar 

  33. D.S. Wang, R.Q. Wu, and A.J. Freeman, Phys. Rev. B 47 (1993) 14932; J. Magn. Magn. Mater. 129 (1994) 327; Phys. Rev. B 48 (1993) 15883.

    Article  ADS  Google Scholar 

  34. X.D. Wang, R.Q. Wu, D.S. Wang, and A.J. Freeman, Phys. Rev. B 54 (1996) 61.

    Article  ADS  Google Scholar 

  35. V.G. Gavrilenko and R.Q. Wu, Phys. Rev. B 60 (1999) 9539.

    Article  ADS  Google Scholar 

  36. P. Krams, F. Lauks, R.L. Stamps, B. Hillebrands, and G. Güntherodt, Phys. Rev. Lett. 69 (1992) 3674.

    Article  ADS  Google Scholar 

  37. B. N. Engel, M. H. Wiedmann, and C. M. Falco, J. Appl. Phys. 75 (1994) 6401.

    Article  ADS  Google Scholar 

  38. S. Hope, E. Gu, B. Choi, and J.A.C. Bland, Phys. Rev. Lett. 80 1750 (1998); M. Tselepi, P.J. Bode, Y.B. Xu, G. Wastlbauer, S. Hope, and J.A.C. Bland, J. Appl. Phys. 89, 6683 (2001).

    Article  ADS  Google Scholar 

  39. R. Vollmer, Th. Gutjahr-Loser, J. Kirschner, S. van Dijken, and B. Poelsema, Phys. Rev. B 60, 6277 (1999).

    Article  ADS  Google Scholar 

  40. S. van Dijken, R. Vollmer, B. Poelsema and J. Kirschner, J. Magn. Magn. Mater. 210 315 (2000).

    Google Scholar 

  41. J.S. Hong, R.Q. Wu, J. Lindner, E. Kosubek, and K. Baberschke, Phys. Rev. Lett., submitted.

    Google Scholar 

  42. Dongqi Li, B. Roldan Cuenya, J. Pearson, S.D. Bader, and W. Keune, Phys. Rev. B 64, 144410 (2001).

    Article  ADS  Google Scholar 

  43. N. García, M. Muñoz, and Y.-W. Zhao, Phys. Rev. Lett. 82, 2923 (1999).

    Article  ADS  Google Scholar 

  44. P. Gambardella, A. Dallmeyer, K. Maiti, M.C. Malagoli, W. Eberhardt, K. Kern, and C. Carbone, Nature 416, 301 (2002).

    Article  ADS  Google Scholar 

  45. N. Nilius, T.M. Wallis, and W. Ho, Science 297, 1853 (2002); and private communications.

    Article  ADS  Google Scholar 

  46. G.M. Pastor, J. Dorantes-Dávila, S. Pick, and H. Dreyssé, Phys. Rev. Lett. 75, 326 (1995).

    Article  ADS  Google Scholar 

  47. B. Lazarovits, L. Szunyogh, and P. Weinberger, Phys. Rev. B 65, 104441 (2002).

    Article  ADS  Google Scholar 

  48. M. Weinert and A.J. Freeman, J. Magn. Magn. Mater. 38, 23 (1983); M. Weinert, W. Yang and A.J. Freeman, ICM2003 Proc. accepted.

    Article  ADS  Google Scholar 

  49. Jisang Hong and R.Q. Wu, Phys. Rev. B 67, 020406(R) (2003).

    ADS  Google Scholar 

  50. P. Gambardella, S. Rusponi, M. Veronese, S. S. Dhesi, C. Grazioli, A. Dallmeyer, I. Cabria, R. Zeller, P. H. Dederichs, K. Kern, C. Carbone, and H. Brune, Science 300, 1130 (2003).

    Article  ADS  Google Scholar 

  51. Jisang Hong and Ruqian Wu, to be published.

    Google Scholar 

  52. For systems with a fourfold symmetry with respect to the surface normal, their magnetic anisotropy energies, EMCA, can be expressed in the lowest non-vanishing order of the polar and azimuth angles (θ and φ) as E MCA = K 1sin2 θ + K 2sin2(2φ)sin4 θ, where K1 and K2 are coefficients of the leading uniaxial and in-plane contributions, respectively.

    Google Scholar 

  53. G.H.O. Daalderop, P.J. Kelly and M.F.H. Schuurmans, Phys. Rev. B 41 (1990) 11919.

    Article  ADS  Google Scholar 

  54. G.Y. Guo, W.M. Temmerman and H. Ebert, Physica B 172 (1991) 61.

    Article  ADS  Google Scholar 

  55. P. Strange, J.B. Sraunton, B.L. Gyorffy and H. Ebert, Physica B 172 (1991) 51.

    Article  ADS  Google Scholar 

  56. J. Trygg, B. Johnansson, O. Eriksson and J.M. Wills, Phys. Rev. Lett. 75 (1995) 2871.

    Article  ADS  Google Scholar 

  57. S.V. Halilov, A.Ya. Perlov, P.M. Oppeneer, A.N. Yaresko, and V.N. Antonov, Phys. Rev. B 57 (1998) 9557.

    Article  ADS  Google Scholar 

  58. S.V. Beiden, et al, Phys. Rev. B 57 (1998) 14247.

    Article  ADS  Google Scholar 

  59. O. Eriksson, et al, Phys. Rev. B 41 (1990) 7311; 42 (1990) 2707.

    Article  ADS  Google Scholar 

  60. J. R. Cullen, A.E. Clark and K.B. Hathaway, in Materials Science and Technology, edted by R.W. Cahn, P. Hasen and E.J. Kramer, Vol. IIIB (1994) 529.

    Google Scholar 

  61. R.Q. Wu, L.J. Chen, A. Shick and A.J. Freeman, J. Magn. Magn. Mater. 177–181 (1998) 1216.

    Article  Google Scholar 

  62. M. Fähnle, M. Komelj, R.Q. Wu and G.Y. Guo, Phys. Rev. B 65, 144436 (2002).

    Article  ADS  Google Scholar 

  63. R.Q. Wu and A. J. Freman, J. Appl. Phys. 79 (1996) 6500; R.Q. Wu, L.J. Chen, and A.J. Freeman, J. Magn. Magn. Mater. 170 (1997) 103.

    Article  ADS  Google Scholar 

  64. A.B. Shick, D. L. Novikov, and A. J. Freeman, Phys. Rev. B 56 (1997) R14259; J. Appl. Phys. 83 (1998) 7258.

    Article  ADS  Google Scholar 

  65. V.G. Gavrilenko and R.Q. Wu, J. Appl. Phys. 87 (2000) 6098.

    Article  ADS  Google Scholar 

  66. Data in Science and Technology: Magnetic Properties of Metals, edited by H.P.J. Wijn (Springer-verlag, Berlin, 1986).

    Google Scholar 

  67. A.E. Clark, in Ferromagnetic Materials, Vol. 1, edited by E.P. Wohlfarth (Amsterdam, North-Holland), page 531.

    Google Scholar 

  68. K.N.R. Taylor, Advance in Physics, 2, 551 (1971).

    Article  ADS  Google Scholar 

  69. K. Hathaway and J. Cullen, J. Phys. Condens. Matter 3 (1991) 8911.

    Article  ADS  Google Scholar 

  70. Ultrathin Magnetic Structures, edited by J. A. C. Bland and B. Heinrich (Springer, Berlin, 1994), Vols. 1, 2, and references therein.

    Google Scholar 

  71. J. Nogués and I. K. Schuller, J. Magn. Magn. Mater. 192 (1999) 203.

    Article  ADS  Google Scholar 

  72. A. E. Berkowitz and K. Takano, J. Magn. Magn. Mater. 200 (1999) 552.

    Article  ADS  Google Scholar 

  73. G. Tatara and H. Fukuyama, Phys. Rev. Lett. 78 (1997) 3773.

    Article  ADS  Google Scholar 

  74. J. Prieto, M. Blamire, and J. E. Evetts, Phys. Rev. Lett. 90 (2003) 27201.

    Article  ADS  Google Scholar 

  75. T. Shinjo, T. Okuno, R. Hassdorf, K. Shigeto, and T. Ono, Science 289 (2000) 930.

    Article  ADS  Google Scholar 

  76. L. Nordström and D. J. Singh, Phys. Rev. Lett. 76 (1996) 4420.

    Article  ADS  Google Scholar 

  77. D. Hobbs, G. Kresse, and J. Hafner, Phys. Rev. B 62 (2000) 11556.

    Article  ADS  Google Scholar 

  78. P. Kurz, G. Bihlmayer, and S. Blügel, J. Appl. Phys. 87 (2000) 6101.

    Article  ADS  Google Scholar 

  79. K. Nakamura, A. J. Freeman, D. S. Wang, L. Zhong, and J. Fernandez-de-Castro, Phys. Rev. B 65 (2002) 12402; Phys. Rev. B 67 (2003) 14420.

    Article  ADS  Google Scholar 

  80. K. Nakamura and A. J. Freeman, Phys. Rev. B 66 (2002) 140405.

    Article  ADS  Google Scholar 

  81. K. Nakamura, A. J. Freeman, L. Zhong, and J. Fernandez-de-Castro, Phys. Rev. B 67 (2003) 14405.

    Article  ADS  Google Scholar 

  82. K. Nakamura, A. J. Freeman, L. Zhong, and J. Fernandez-de-Castro, J. Appl. Phys. 93 (2003) 6879.

    Article  ADS  Google Scholar 

  83. K. Nakamura, T. Ito, and A. J. Freeman, Phys. Rev. B 68 (2003) 180404.

    Article  ADS  Google Scholar 

  84. J. Kübler, K.-H. Höck, J. Sticht, and A. R. Williams, J. Phys. F 18 (1988) 469.

    Article  ADS  Google Scholar 

  85. L. M. Sandratskii, Adv. Phys. 47 (1998) 91.

    Article  ADS  Google Scholar 

  86. M. Weinert, J. Math. Phys. 22 (1981) 2433.

    Article  ADS  MathSciNet  Google Scholar 

  87. M. E. Rose, Relativistic Electron Theory (John Wiley and Sons, New York, 1961).

    MATH  Google Scholar 

  88. C. Li, A. J. Freeman, H. J. F. Jansen, C. L. Fu, Phys. Rev. B 42 (1990) 5433.

    Article  ADS  Google Scholar 

  89. D. D. Koelling and B. N. Harmon, J. Phys. C 10 (1977) 3107.

    Article  ADS  Google Scholar 

  90. A. H. MacDonald, W. E. Pickett, and D. D. Koelling, J. Phys. C 13 (1980) 2675.

    Article  ADS  Google Scholar 

  91. W. P. Meiklejohn and C. P. Bean, Phys. Rev. 102, 1413 (1956); Phys. Rev. 105 (1957) 904.

    Article  ADS  Google Scholar 

  92. R. L. Stamps, J. Phys. D 33 (2000) R247.

    Article  ADS  Google Scholar 

  93. D. Mauri, H. C. Siegmann, P. S. Bagus, and E. Kay, J. Appl. Phys. 62 (1987) 3047.

    Article  ADS  Google Scholar 

  94. A. P. Malozemoff, Phys. Rev. B 35 (1987) 3679.

    Article  ADS  Google Scholar 

  95. N. C. Koon, Phys. Rev. Lett. 78 (1997) 4865.

    Article  ADS  Google Scholar 

  96. T. C. Schulthess and W. H. Butler, Phys. Rev. Lett. 81 (1998) 4516.

    Article  ADS  Google Scholar 

  97. T. Lin, D. Mauri, N. Staud, C. Hawng, J. K. Howard, and G. L. Gorman, Appl. Phys. Lett. 65 (1994) 1183.

    Article  ADS  Google Scholar 

  98. S. Mao, S. Gangopadhyay, N. Amin, and E. Murdock, Appl. Phys. Lett. 69 (1996) 3539.

    Article  Google Scholar 

  99. B. Y. Wong, C. Mitumata, S. Prakash, D. E. Langhlin, and T. Kobayashi, IEEE Trans. Magn. 32 (1996) 3425.

    Article  ADS  Google Scholar 

  100. X. Portier, A. K. Petford-Long, and T. C. Anthony, IEEE Trans. Magn. 33 (1997) 3679.

    Article  ADS  Google Scholar 

  101. Z. Qian, J. M. Sivertsen, J. H. Judy, B. A. Everitt, S. Mao, and E. S. Murdock, J. Appl. Phys. 85 (1999) 6106.

    Article  ADS  Google Scholar 

  102. K. Nakamura, M. Kim, A. J. Freeman, L. Zhong, and J. Fernandez-de-Castro, IEEE Trans. Magn. 36 (2000) 3269.

    Article  ADS  Google Scholar 

  103. K. Takano, R. H. Kodama, A. E. Berkowitz, W. Cao, and G. Thomas, Phys. Rev. Lett. 79 (1997) 1130.

    Article  ADS  Google Scholar 

  104. S. Chikazumi, Physics of Ferromagnetism (Wiley, New York, 1964).

    Google Scholar 

  105. A. Hubert and R. Schäfer, Magnetic Domains (Springer-Verlag, Berlin, 1998).

    Google Scholar 

  106. J. Miltat and A. Thiaville, Science 298 (2002) 555.

    Article  Google Scholar 

  107. A. Wachowiak, J. Wiebe, M. Bode, O. Pietzsch, M. Morgenstern, and R. Wiesendanger, Science 298 (2002) 577.

    Article  ADS  Google Scholar 

  108. S. Ohnishi, A. J. Freeman, and M. Weinert, Phys. Rev. B 28 (1983) 6741.

    Article  ADS  Google Scholar 

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Author information

Authors and Affiliations

  1. Department of Physics and Astronomy, Northwestern University, Evanston, IL, USA, 60208

    A. J. Freeman

  2. Mie University, Mie, 514-8507, Japan

    Kohji Nakamura

  3. Department of Physics and Astronomy, University of California, Irvine, CA, USA, 92697-4575

    Ruqian Wu

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  1. A. J. Freeman
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  2. Kohji Nakamura
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  1. ISM-CNR, Area della Ricerca di Roma, Rome, Italy

    Dino Fiorani

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Freeman, A.J., Nakamura, K., Wu, R. (2005). Modern Electronic Structure Theory for Complex Properties of Magnetic Materials. In: Fiorani, D. (eds) Surface Effects in Magnetic Nanoparticles. Nanostructure Science and Technology. Springer, Boston, MA. https://doi.org/10.1007/0-387-26018-8_1

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