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, A. J.
N1 - Funding Information:
Work at Northwestern University was supported by the National Science Foundation (Grant No. DMR88-16126 and DMR89-06935). One of us (AJF) thanksG . Prinz for handlingt he editorial aspects of this paper, including the anonymousr efereeing.
Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.
PY - 1991/9
Y1 - 1991/9
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 - Letter
AN - SCOPUS:0026226753
VL - 99
SP - L45-L54
JO - Journal of Magnetism and Magnetic Materials
JF - Journal of Magnetism and Magnetic Materials
SN - 0304-8853
IS - 1-3
ER -