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 language | English |
|---|---|
| Journal | Journal of Magnetism and Magnetic Materials |
| Volume | 99 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - 1991 |
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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 journal › Article
}
TY - JOUR
T1 - Proximity effects of overlayers on surface magnetism
T2 - Al adsorbed on Fe(001)
AU - Hong, Soon C.
AU - Il Lee, Jae
AU - Freeman, Arthur J
PY - 1991
Y1 - 1991
N2 - 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.
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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U2 - 10.1016/0304-8853(91)90046-D
DO - 10.1016/0304-8853(91)90046-D
M3 - Article
VL - 99
JO - Journal of Magnetism and Magnetic Materials
JF - Journal of Magnetism and Magnetic Materials
SN - 0304-8853
IS - 1-3
ER -