Abstract
The structural and magnetic properties of Fe monolayers and bilayers on the W(001) substrate and the effects of oxygen adsorption were determined using the all-electron total-energy local-density full-potential linearized augmented plane-wave method. The strong ferromagnetism of the free Fe monolayer is completely destroyed by the Fe-W interaction for monolayer Fe/W(001); instead, a c(2×2) antiferromagnetic configuration becomes the ground state. For bilayer Fe/W(001), a tetragonal rather than bcc structure is formed. The ferromagnetism of the previous dead Fe layer is restored by the additional adsorbed Fe layer; the magnetic moment in the interface and surface Fe layers increase to 1.68B and 2.43B, respectively. These ferromagnetic Fe layers induce a sizable magnetic moment (0.22B) in the interfacial W layer. Finally, oxygen adsorption on bilayer Fe/W(001) is found to decrease greatly the magnetism of the interfacial Fe layerto only 0.7Bbut not to affect the top Fe layer.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 7532-7535 |
| Number of pages | 4 |
| Journal | Physical Review B |
| Volume | 45 |
| Issue number | 13 |
| DOIs | |
| State | Published - 1992 |
ASJC Scopus subject areas
- Condensed Matter Physics