Abstract
The structural, electronic, and magnetic properties of the Fe/Ru(0001) system were determined by using the local-density total-energy full-potential linearized augmented-plane-wave energy-band method. Structurally, Fe atoms are found to occupy the hcp sites on the Ru(0001) substrate. Compared with the average of their bulk values, the nearest Fe-Ru distance contracts about 6% for the paramagnetic case but expands 1% for the ferromagnetic and the antiferromagnetic configurations, indicating the strong effect of magnetism and the lattice geometry. As the result of the strong overlayer-substrate hybridization, the Fe atoms, which are coupled ferromagnetically in the case of the corresponding free-standing Fe monolayer, favor antiferromagnetic coupling for Fe/Ru(0001). The predicted antiferromagnetic coupling appears to explain the observation by Liu and Bader that Fe overlayers on Ru(0001) are magnetically dead when the number of Fe layers is less than 2.
| Original language | English |
|---|---|
| Pages (from-to) | 4449-4454 |
| Number of pages | 6 |
| Journal | Physical Review B |
| Volume | 44 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - 1991 |
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ASJC Scopus subject areas
- Condensed Matter Physics
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Antiferromagnetic ordering of Fe/Ru(0001). / Wu, Ruqian; Freeman, Arthur J.
In: Physical Review B, Vol. 44, No. 9, 1991, p. 4449-4454.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Antiferromagnetic ordering of Fe/Ru(0001)
AU - Wu, Ruqian
AU - Freeman, Arthur J
PY - 1991
Y1 - 1991
N2 - The structural, electronic, and magnetic properties of the Fe/Ru(0001) system were determined by using the local-density total-energy full-potential linearized augmented-plane-wave energy-band method. Structurally, Fe atoms are found to occupy the hcp sites on the Ru(0001) substrate. Compared with the average of their bulk values, the nearest Fe-Ru distance contracts about 6% for the paramagnetic case but expands 1% for the ferromagnetic and the antiferromagnetic configurations, indicating the strong effect of magnetism and the lattice geometry. As the result of the strong overlayer-substrate hybridization, the Fe atoms, which are coupled ferromagnetically in the case of the corresponding free-standing Fe monolayer, favor antiferromagnetic coupling for Fe/Ru(0001). The predicted antiferromagnetic coupling appears to explain the observation by Liu and Bader that Fe overlayers on Ru(0001) are magnetically dead when the number of Fe layers is less than 2.
AB - The structural, electronic, and magnetic properties of the Fe/Ru(0001) system were determined by using the local-density total-energy full-potential linearized augmented-plane-wave energy-band method. Structurally, Fe atoms are found to occupy the hcp sites on the Ru(0001) substrate. Compared with the average of their bulk values, the nearest Fe-Ru distance contracts about 6% for the paramagnetic case but expands 1% for the ferromagnetic and the antiferromagnetic configurations, indicating the strong effect of magnetism and the lattice geometry. As the result of the strong overlayer-substrate hybridization, the Fe atoms, which are coupled ferromagnetically in the case of the corresponding free-standing Fe monolayer, favor antiferromagnetic coupling for Fe/Ru(0001). The predicted antiferromagnetic coupling appears to explain the observation by Liu and Bader that Fe overlayers on Ru(0001) are magnetically dead when the number of Fe layers is less than 2.
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U2 - 10.1103/PhysRevB.44.4449
DO - 10.1103/PhysRevB.44.4449
M3 - Article
VL - 44
SP - 4449
EP - 4454
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 1098-0121
IS - 9
ER -