Proximity effects of overlayers on surface magnetism

Al adsorbed on Fe(001)

Soon C. Hong, Jae Il Lee, Arthur J Freeman

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Magnetic moments and magnetic hyperfine fields at the Fe(001) surface covered by a simple metal, Al, have been calculated employing the full potential linearized augmented plane wave (FLAPW) method. From total energy calculations the Al-Fe bond-length is found to be 4.53 au which is smaller than those of some bulk Al-Fe compounds by about 4%. The magnetic moment (1.38μB) is greatly reduced compared to those of clean Fe(001) and bulk Fe, by 54% and 38% respectively. From the energy band structure and density of states this reduction appears to come from the hybridization of Al-s, p and Fe-d electrons. As regards the Fermi contact hyperfine interaction, the Al-s, p electrons promote the conduction electrons of the interface Fe to have a negative indirect polarization (-46 kG). As result of this negative contribution, the magnitude of the magnetic hyperfine field (-235 kG) at the interface Fe becomes comparable to that (-252 kG) of clean Fe(001) despite the large reduction of magnetic moment.

Original languageEnglish
JournalJournal of Magnetism and Magnetic Materials
Volume99
Issue number1-3
DOIs
Publication statusPublished - 1991

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Magnetism
Magnetic moments
magnetic moments
Band structure
Electrons
Magnetic fields
Bond length
conduction electrons
energy bands
electric contacts
plane waves
electrons
Metals
Polarization
polarization
metals
interactions
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Proximity effects of overlayers on surface magnetism : Al adsorbed on Fe(001). / Hong, Soon C.; Il Lee, Jae; Freeman, Arthur J.

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

Research output: Contribution to journalArticle

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AB - Magnetic moments and magnetic hyperfine fields at the Fe(001) surface covered by a simple metal, Al, have been calculated employing the full potential linearized augmented plane wave (FLAPW) method. From total energy calculations the Al-Fe bond-length is found to be 4.53 au which is smaller than those of some bulk Al-Fe compounds by about 4%. The magnetic moment (1.38μB) is greatly reduced compared to those of clean Fe(001) and bulk Fe, by 54% and 38% respectively. From the energy band structure and density of states this reduction appears to come from the hybridization of Al-s, p and Fe-d electrons. As regards the Fermi contact hyperfine interaction, the Al-s, p electrons promote the conduction electrons of the interface Fe to have a negative indirect polarization (-46 kG). As result of this negative contribution, the magnitude of the magnetic hyperfine field (-235 kG) at the interface Fe becomes comparable to that (-252 kG) of clean Fe(001) despite the large reduction of magnetic moment.

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