Monolayer magnetism: Electronic and magnetic properties of Fe/Au(001)

Chun Li; A. J. Freeman; C. L. Fu

doi:10.1016/0304-8853(88)90021-2

Monolayer magnetism: Electronic and magnetic properties of Fe/Au(001)

Chun Li^*, A. J. Freeman, C. L. Fu

^*Corresponding author for this work

Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

43 Scopus citations

Abstract

A highly precise all-electron local spin density FLAPW calculation has determined the electronic and magnetic properties of an Fe monolayer adsorbed on an Au(001) substrate. The magnetic moment of the Fe atom is found to be 2.97μ_B, i.e., enhanced by 30% from the bulk value and very close to that determined previously for the surface layer of Fe(001) itself (2.96μ_B). As a result of Au d-band hybridization with the Fe d-band, Au interface atoms have a small moment of +0.03μ_B. Although the Fe magnetic moment is strongly enhanced, the contact hyperfine filed at the Fe nucleus is substantially reduced to -213 kG, a result of the large positive conduction electron contribution which is rather sensitive to the atomic environment.

Original language	English (US)
Pages (from-to)	201-208
Number of pages	8
Journal	Journal of Magnetism and Magnetic Materials
Volume	75
Issue number	3
DOIs	https://doi.org/10.1016/0304-8853(88)90021-2
State	Published - Dec 1 1988

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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title = "Monolayer magnetism: Electronic and magnetic properties of Fe/Au(001)",

abstract = "A highly precise all-electron local spin density FLAPW calculation has determined the electronic and magnetic properties of an Fe monolayer adsorbed on an Au(001) substrate. The magnetic moment of the Fe atom is found to be 2.97μB, i.e., enhanced by 30% from the bulk value and very close to that determined previously for the surface layer of Fe(001) itself (2.96μB). As a result of Au d-band hybridization with the Fe d-band, Au interface atoms have a small moment of +0.03μB. Although the Fe magnetic moment is strongly enhanced, the contact hyperfine filed at the Fe nucleus is substantially reduced to -213 kG, a result of the large positive conduction electron contribution which is rather sensitive to the atomic environment.",

author = "Chun Li and Freeman, {A. J.} and Fu, {C. L.}",

note = "Funding Information: Work at Northwestern University supported by the Office of Naval Research (Grant No. NOOOl-81-4-K-0438 and by a grant of computing time at the Naval Research Laboratory Supercomputing Center). Work at Oak Ridge National Laboratory supported by the Division of Material Sciences, US Department of Energy, under contract DE-AC05850R21400 with Martin Marietta Energy Systems, Inc. One of us (A.J.F.) thanks L.J. Vamerin for handling the editorial aspects of this manuscript - including the anonymous refereeing.",

year = "1988",

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doi = "10.1016/0304-8853(88)90021-2",

language = "English (US)",

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pages = "201--208",

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TY - JOUR

T1 - Monolayer magnetism

T2 - Electronic and magnetic properties of Fe/Au(001)

AU - Li, Chun

AU - Freeman, A. J.

AU - Fu, C. L.

N1 - Funding Information: Work at Northwestern University supported by the Office of Naval Research (Grant No. NOOOl-81-4-K-0438 and by a grant of computing time at the Naval Research Laboratory Supercomputing Center). Work at Oak Ridge National Laboratory supported by the Division of Material Sciences, US Department of Energy, under contract DE-AC05850R21400 with Martin Marietta Energy Systems, Inc. One of us (A.J.F.) thanks L.J. Vamerin for handling the editorial aspects of this manuscript - including the anonymous refereeing.

PY - 1988/12/1

Y1 - 1988/12/1

N2 - A highly precise all-electron local spin density FLAPW calculation has determined the electronic and magnetic properties of an Fe monolayer adsorbed on an Au(001) substrate. The magnetic moment of the Fe atom is found to be 2.97μB, i.e., enhanced by 30% from the bulk value and very close to that determined previously for the surface layer of Fe(001) itself (2.96μB). As a result of Au d-band hybridization with the Fe d-band, Au interface atoms have a small moment of +0.03μB. Although the Fe magnetic moment is strongly enhanced, the contact hyperfine filed at the Fe nucleus is substantially reduced to -213 kG, a result of the large positive conduction electron contribution which is rather sensitive to the atomic environment.

AB - A highly precise all-electron local spin density FLAPW calculation has determined the electronic and magnetic properties of an Fe monolayer adsorbed on an Au(001) substrate. The magnetic moment of the Fe atom is found to be 2.97μB, i.e., enhanced by 30% from the bulk value and very close to that determined previously for the surface layer of Fe(001) itself (2.96μB). As a result of Au d-band hybridization with the Fe d-band, Au interface atoms have a small moment of +0.03μB. Although the Fe magnetic moment is strongly enhanced, the contact hyperfine filed at the Fe nucleus is substantially reduced to -213 kG, a result of the large positive conduction electron contribution which is rather sensitive to the atomic environment.

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DO - 10.1016/0304-8853(88)90021-2

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SN - 0304-8853

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EP - 208

JO - Journal of Magnetism and Magnetic Materials

JF - Journal of Magnetism and Magnetic Materials

IS - 3

ER -

Monolayer magnetism: Electronic and magnetic properties of Fe/Au(001)

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