Abstract
The structural, electronic and magnetic (including magnetic anisotropy) properties of the Co/Pd(111) and Co/Pt(111) systems were investigated using the local density total energy full potential linearized augmented plane wave (FLAPW) method. Structurally, the pseudomorphic Co overlayer occupies the fcc sites on the substrates, with a 5-6% contraction of nearest Co-Pd and Co-Pt distances. As results of a second variation magnetic anisotropy calculation, Co/Pt(111) shows strong perpendicular spin orientation (with an anisotropy energy ≈4.5×10-4 eV/adatom). Strong covalent overlayer/ substrate bonding results in large adsorption energies of 2.2-2.5 eV/adatom. Unlike other magnetic/nonmagnetic adsorption systems, Co atoms retain (or even enhance) their local magnetic moment as in the free-standing Co monolayer. The Co overlayer induces a long-range (beyond 3 atomic layers) spin polarization in Pd(111), but a relatively shorter-range disturbance in Pt(111).
| Original language | English (US) |
|---|---|
| Pages (from-to) | 71-80 |
| Number of pages | 10 |
| Journal | Journal of Magnetism and Magnetic Materials |
| Volume | 99 |
| Issue number | 1-3 |
| DOIs | |
| State | Published - Sep 1991 |
Funding
Work at Northwestern University was supported by the National Science Foundation [(Grant No. DMR88-16126) and by a grant of computert ime at the PittsburghS upercomputing Centert hroughi ts Division of AdvancedS cientific computing].W ork at Argonne National Labora- tory was was supported by the Department of Energy. One of us (A.J.F.) thanks L.J. Vamerin for handling the editorial aspects of this manuscript( including the anonymousr efereeing).
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics