Abstract
First-principles electronic-structure calculations are performed for clusters representing an Fe impurity in the metal hosts Cu and Ag. The discrete-variational method is employed in the framework of local-spin-density theory. The host lattice distortions are taken into account in discussing the local magnetic moment formation and electronic properties. The obtained numerical results are compared with the previous theoretical and experimental studies.
Original language | English |
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Pages (from-to) | 279-282 |
Number of pages | 4 |
Journal | Materials Transactions, JIM |
Volume | 37 |
Issue number | 3 |
DOIs | |
Publication status | Published - 1996 |
Keywords
- Lda calculation
- Magnetism
- Transition impurity
ASJC Scopus subject areas
- Engineering(all)