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 (US) |
|---|---|
| Pages (from-to) | L45-L54 |
| Journal | Journal of Magnetism and Magnetic Materials |
| Volume | 99 |
| Issue number | 1-3 |
| DOIs | |
| State | Published - Sep 1991 |
Funding
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.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics