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- W2014188034 abstract "The electronic structure of Gd2Fe14B has been calculated using the spin-polarized orthogonalized linear combination of atomic orbitals method. The use of the band approach to study the magnetic properties of the rare-earth iron-boron compounds should be more valid in the case of Gd2Fe14B because of the exactly half-filled f shell of the Gd atom, which has a zero orbital angular momentum. The calculated total spin magnetic moment of 18.41 μB per formula unit is in good agreement with experiment, and the site-decomposed Fe moments show that the j2 site has the highest and the e site has the smallest moment. Other results presented include total and partial density of states and the spin density distributions on the basal and [110] plane. The positive spin density from the Fe sites shows a network type of structure parallel to the c axis. These and other results are compared with those calculated for Nd2Fe14B." @default.
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- W2014188034 title "Electronic structure and spin density of Gd2Fe14B" @default.
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- W2014188034 doi "https://doi.org/10.1063/1.340645" @default.
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