Abstract
We have studied the Fe-X (X=B, C and N) systems, represented by clusters of atoms, using the discrete variational method. The calculated properties at the cluster's central site are compared with experimental and other theoretical results. The local magnetic, contact magnetic hyperfine field and contact charge density at the central site were calculated for different locations of impurities in bct, fcc and for intermediate structures. The calculated properties for N impurities are somehow different from those obtained for B and C impurities. The reasons behind the large average magnetic moment at Fe site in Fe-N systems were not convincingly clarified, however, distinctive features related to these systems are pointed out.
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Zhou, Y., Zhang, W., Zhong, L. and Wang, D., J. Magn. Magn. Mater. 145 (1995), 273.
Herper, H. C., Hoffmann, E. and Entel, P., Phys. Rev. B 60 (1999), 3839.
Tsunoda, Y., J. Phys. (Condensed Matter) 1 (1989), 10427.
Coey, J. M. D. and Hong Sun, J. Magn. Magn. Mater. 87 (1990), L251.
Bangwei, Z., Wanyu, H. and Deqi, Z., Physica B 183 (1993), 205.
Coey, J. M. D. and Qi, Q., Hyp. Interact. 90 (1994), 265.
Sanchez, F. H. and Fernandez van Raap, M. B., Phys. Rev. B 46 (1992), 9013.
Ron, M., In: R. L. Cohen (ed), Application of Mossbauer Spectroscopy, Vol. II, Academic Press, New York, 1980, p. 329.
Mertzger, R. M. and Bao, X., J. Appl. Phys. 76 (1994), 6626.
Coey, J. M. D., J. Appl. Phys. 76 (1994), 6632; Takahashi, M., Shoji, H., Takahashi, H., Nashi, H., Wakiyama, T., Doi, M. and Matsui, M., J. Appl. Phys. 76 (1994), 6642.
Hafner, J., Acta Materialia 48 (2000), 71.
Elzain, M. E., Ellis, D. E. and Guenzberger, D., Phys. Rev. B 34 (1986), 1430.
Clementi, E. and Roeftti, C., Atom. Data & Nucl. Data Tables 14 (1974), 177.
Frazer, B. C., Phys. Rev. 112 (1958), 751.
Gavriljuk, V. G., Kucherenko, Y. N. and Moravetski, V. I., J. Phys. Chem. Solids 55 (1994), 1181; Kuhnen, C. A., de Figueiredo, R. S. and Drago, V., J. Magn. Magn. Mater. 111 (1992), 95.
Sifkovits, M., Smolinski, H., Hellwig, S. and Weber, W., www.arxiv.org/cond-mat/9810383.
Ishida, S., Kitawatase, K., Fujii, S. and Asano, S., J. Phys. 4 (1992), 765.
Tanaka, H., Harima, H., Yamamoto, T., Yoshida, H. K., Nakata, Y. and Hirotsu, Y., Phys. Rev. B 62 (2000), 15042.
Fernando, G.W., Watson, R. E., Weinert, M., Kocharian, A. N., Ratnaweera, A. and Tennakone, K., Phys. Rev. B 61 (2000), 375.
Kanamori, J., Prog. Theor. Phys. (Supplem.) 101 (1990), 1.
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Elzain, M.E. The Electronic and Magnetic Structure of Iron–Interstitial Metalloid Alloys. Hyperfine Interactions 141, 35–45 (2002). https://doi.org/10.1023/A:1021297818649
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DOI: https://doi.org/10.1023/A:1021297818649