The Influence of Magnetism on Atomic Defects and Diffusion: Model Calculations and Ab Initio Electron Theory

Abstract:

• Periodical: Defect and Diffusion Forum (Volumes 237-240)
• Pages: 19-29
• DOI: https://doi.org/10.4028/www.scientific.net/DDF.237-240.19
• Online since: April 2005
• Authors: Manfred Fähnle, Lothar Schimmele
• Keywords: Ab Initio Electron Theory, Atomic Defects, Diffusion, Influence of Magnetism, Intermetallic Compound (IMC)

References

[1] R. J. Borg and C. E. Birchenall: Trans. Met. Soc. AIME Vol. 218 (1960), p.980.

[2] K. Hirano and Y. Iijima: Defect and Diffusion Forum Vol. 66-69 (1989), p.1039.

[3] A. Gude and H. Mehrer: Phil. Mag. A Vol. 76 (1997), p.1.

[4] J. K¨ubler: Theory of Itinerant Electron Magnetism (Clarendon Press, Oxford, UK 2000).

[5] J. ˇCermak, M. L¨ubbehusen, and H. Mehrer: Z. Metallkunde Vol. 80 (1989), p.213.

[6] L. A. Girifalco: J. Phys. Chem. Solids Vol. 23 (1962), p.1171.

[7] J. Kuˇcera: Czech.J. Phys. B Vol. 29 (1979), p.797.

[8] M. F¨ahnle and A. Seeger: phys. stat. sol. (a) Vol. 91 (1985), p.609.

[9] M. F¨ahnle and M. Kathun: phys. stat. sol. (a) Vol. 126 (1991), p.109.

[10] H. v. M. Mirani, R. Harthoorn, T. J. Zuurendonk, S. J. Helmerhorst, and G. de Vries: phys. stat. sol. (a) Vol. 29 (1975), p.115.

DOI: 10.1002/pssa.2210290113

[11] P. Braun and M. Feller-Kniepmeier: Scripta Metall. Vol. 20 (1986), p.7.

[12] G. Hettich, H. Mehrer, and K. Maier: Scripta Metall. Vol. 11 (1977), p.795.

[13] C. Zener: In: Imperfections in Nearly Perfect Crystals, W. Shockley, J. H. Hollomon, R. Maurer, and F. Seitz (Eds.), (J. Wiley, New York, 1952), p.289.[14] C. Els¨asser, J. Zhu, S. G. Louie, M. F¨ahnle, and C. T. Chan: J. Phys. Condens. Matter Vol. 10 (1998), p.5081.

DOI: 10.1107/s0365110x52002677

[15] M. F¨ahnle, J. Mayer, and B. Meyer: Intermetallics Vol. 7 (1999), p.315; G. Bester, B. Meyer, and M. F¨ahnle, and C. L. Fu: Mat. Sci. Eng. A. Vol. 323 (2002), p.487.

[16] I. A. Abrikosov, P. James, O. Eriksson, P. S¨oderlind, A. V. Ruban, H. L. Skriver, and B. Johansson: Phys. Rev. B Vol. 54 (1996), p.3380.

[17] M. F¨ahnle, B. Meyer, J. Mayer, J. S. Oehrens, and G. Bester: Mat. Res. Soc. Symp. Proc. Vol. 527 (1998), p.23.

[18] G. Bester, B. Meyer, and M. F¨ahnle: Phys. Rev. B Vol. 57 (1998), p. R11019.

[19] B. Meyer and M. F¨ahnle: Phys. Rev. B Vol. 59 (1999), p.6072.

[20] M. F¨ahnle: Defect and Diffusion Forum Vol. 203-205 (2002), p.37.

[21] U. von Barth and L. Hedin: J. Phys. C Vol. 5 (1972), p.1629.

[22] J. P. Perdew and Y. Wang: Phys. Rev. B Vol. 33 (1986), p.8800.

[23] J. P. Perdew, K. Burke, and M. Ernzerhof: Phys. Rev. Lett. Vol. 77 (1996), p.3865.

[24] P. Blaha, K. Schwarz, P. Sorantin, and S. B. Trickey: Computer Physics Commun. Vol. 59 (1990), p.399.

[25] M. Neumayer and M. F¨ahnle: Phys. Rev. B Vol. 64 (2001), p.132102.

[26] F. Lechermann, M. F¨ahnle, B. Meyer, and C. Els¨asser: Phys. Rev. B Vol. 69 (2004), p.165116

[27] P. Mohn, C. Persson, P. Blaha, K. Schwarz, P. Nov´ak, and H. Eschrig: Phys. Rev. Lett. Vol. 87 (2001), p.196401.

[28] Th. Hehenkamp, P. Scholtz, B. K¨ohler, and R. Kerl: Defect and Diffusion Forum Vol. 194-199 (2001), p.389.

[29] C. L. Fu: Phys. Rev. B Vol. 52 (1995), p.3151.

[30] M. F¨ahnle and L. Schimmele: appears in Z. Metallkunde (2004).

[31] S. C. Erwin, S.-H. Lee, and M. Scheffler: Phys. Rev. B Vol. 65 (2002), p.205422.