On the total electronic energy and the magnetic properties of pure and nitrogenated Y2Fe17 compounds
作者： T. Beuerle , P. Braun , M. Fähnle
DOI: 10.1016/0304-8853(91)90104-I
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摘要: Abstract The local magnetic moments at the various Fe and Y sites in 2 17 have been calculated as functions of unit cell volume, using tight-binding LMTO-ASA method. By this volume dilatation upon nitrogenation which is responsible for modification properties simulated. Whereas zero-temperature magnetization only increases by about 10% experimentally observed dilatation, contribution to total energy 75%.
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