Hybridization reduction of the magnetization for N-doped FeCo superlattices

Kim, Miyoung; Freeman, A. J.
May 2003
Applied Physics Letters;5/19/2003, Vol. 82 Issue 20, p3484
Academic Journal
In search of a soft magnetic material exhibiting high magnetization, we investigated the magnetic and structural properties of an (Fe[sub 3]Co)[sub 4]N[sub m] superlattice (SL) with (m = 2) and without (m = 0) N doping via first principles full-potential linearized augmented plane wave calculations in order to examine the possible magnetic enhancement by (i) N addition (which has drawn considerable attention since the first report (in 1972) of a giant magnetic moment for quasistable α'-Fe[sub 16]N[sub 2]) and (ii) the lowered dimensionality of the SL. The structural optimization was fully accomplished by total energy and atomic force calculations within the generalized-gradient approximation. Despite the lattice expansion by 9% due to the N insertion, the magnetization of (Fe[sub 3]Co)[sub 4]N[sub 2] was found to be reduced from the value of the Fe[sub 3] Co superlattice by the strong hybridization of N with Fe and Co.


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