FeCu superlattices with bcc and fcc structures are studied by means of the self-consistent full-potential linearized augmented-plane-wave method under the generalized gradient approximation with full lattice relaxation. By total-energy minimization, the lattice constants in their ground states are determined. The concentration dependences of the volume and moment are discussed, and fairly good agreements are obtained between the theory and the experiment.
|ジャーナル||Physical Review B - Condensed Matter and Materials Physics|
|出版ステータス||Published - 1999|
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