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Electronic structure of 3d impurities in ferromagnetic iron

Citation:

Léonard P, Stefanou N. Electronic structure of 3d impurities in ferromagnetic iron. Journal de Physique. 1982;43(10):1497-1502.

Abstract:

We present the results of the calculation of the electronic structure of impurities (Ti, V, Cr, Mn, Co, Ni, Cu) diluted in ferromagnetic iron obtained by the method of linear combination of «muffin-tin» orbitals in the atomic sphere approximation (LMTO-ASA). The local moments and the hyperfine fields on the impurity and the electronic specific heat coefficient charges are compared with the experimental data.