Structural, electronic and magnetic properties of Co/Pd(111) and Co/Pt(111)

Ruquian Wu, Chun Li, Arthur J Freeman

Research output: Contribution to journalArticle

95 Citations (Scopus)

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 languageEnglish
Pages (from-to)71-80
Number of pages10
JournalJournal of Magnetism and Magnetic Materials
Volume99
Issue number1-3
DOIs
Publication statusPublished - 1991

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Adatoms
Magnetic anisotropy
Electronic properties
Structural properties
Magnetic properties
magnetic properties
Adsorption
adatoms
anisotropy
Spin polarization
Substrates
Magnetic moments
electronics
magnetic variations
Monolayers
Anisotropy
adsorption
Atoms
contraction
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Structural, electronic and magnetic properties of Co/Pd(111) and Co/Pt(111). / Wu, Ruquian; Li, Chun; Freeman, Arthur J.

In: Journal of Magnetism and Magnetic Materials, Vol. 99, No. 1-3, 1991, p. 71-80.

Research output: Contribution to journalArticle

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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).",
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AB - 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).

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