Magnetovolume effect in Nd[sub 5]Fe[sub 17].

The effect of volume expansion on the magnetic properties of Nd[sub 5]Fe[sub 17] is explored using first-principle electronic structure calculations. A volume expansion of 6% increases the magnetization by ∼6% and the average total exchange parameter by ∼34%. As a result, the Curie temperature (T[sub C]) is expected to increase from 509 to 682 K. Therefore, some nonhybridizing interstitial and substitutional impurities should produce a moderate increase in T[sub C] of Nd[sub 5]Fe[sub 17]. The possible interstitial sites are discussed. © 2000 American Institute of Physics. [ABSTRACT FROM AUTHOR]