Abstract
Structural, electronic, and magnetic properties of Fe/Ni(111) were studied using the total-energy local-spin-density full-potential linearized-augmented- plane-wave method. The Fe adatoms are found to be located on the hcp sites on the Ni(111) surface with a 3.8% downward relaxation relative to the average Fe and Ni distances in bulk. The spin magnetic moments of the Ni(111) surface atoms are enhanced to 0.63B from the bulk value of 0.58B. This moment is further increased to 0.67B after the Fe adsorption because of the enhanced exchange interaction. By contrast, the magnetic moment of the Fe overlayer decreases to 2.33B from the value of 2.49B for the isolated Fe monolayer. Layer-by-layer contact hyperfine-field values are presented that show the differing influence of the valence-electron contributions in affecting the proportionality of the hyperfine field and the magnetic moment.
| Original language | English |
|---|---|
| Pages (from-to) | 7205-7210 |
| Number of pages | 6 |
| Journal | Physical Review B |
| Volume | 45 |
| Issue number | 13 |
| DOIs | |
| Publication status | Published - 1992 |
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ASJC Scopus subject areas
- Condensed Matter Physics
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Structural and magnetic properties of Fe/Ni(111). / Wu, Ruqian; Freeman, Arthur J.
In: Physical Review B, Vol. 45, No. 13, 1992, p. 7205-7210.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Structural and magnetic properties of Fe/Ni(111)
AU - Wu, Ruqian
AU - Freeman, Arthur J
PY - 1992
Y1 - 1992
N2 - Structural, electronic, and magnetic properties of Fe/Ni(111) were studied using the total-energy local-spin-density full-potential linearized-augmented- plane-wave method. The Fe adatoms are found to be located on the hcp sites on the Ni(111) surface with a 3.8% downward relaxation relative to the average Fe and Ni distances in bulk. The spin magnetic moments of the Ni(111) surface atoms are enhanced to 0.63B from the bulk value of 0.58B. This moment is further increased to 0.67B after the Fe adsorption because of the enhanced exchange interaction. By contrast, the magnetic moment of the Fe overlayer decreases to 2.33B from the value of 2.49B for the isolated Fe monolayer. Layer-by-layer contact hyperfine-field values are presented that show the differing influence of the valence-electron contributions in affecting the proportionality of the hyperfine field and the magnetic moment.
AB - Structural, electronic, and magnetic properties of Fe/Ni(111) were studied using the total-energy local-spin-density full-potential linearized-augmented- plane-wave method. The Fe adatoms are found to be located on the hcp sites on the Ni(111) surface with a 3.8% downward relaxation relative to the average Fe and Ni distances in bulk. The spin magnetic moments of the Ni(111) surface atoms are enhanced to 0.63B from the bulk value of 0.58B. This moment is further increased to 0.67B after the Fe adsorption because of the enhanced exchange interaction. By contrast, the magnetic moment of the Fe overlayer decreases to 2.33B from the value of 2.49B for the isolated Fe monolayer. Layer-by-layer contact hyperfine-field values are presented that show the differing influence of the valence-electron contributions in affecting the proportionality of the hyperfine field and the magnetic moment.
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U2 - 10.1103/PhysRevB.45.7205
DO - 10.1103/PhysRevB.45.7205
M3 - Article
VL - 45
SP - 7205
EP - 7210
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 13
ER -