Antiferromagnetic ordering of Fe/Ru(0001)
- Department of Physics and Astronomy, Northwestern University, Evanston, Illinois (USA)
- Department of Physics and Astronomy, Northwestern University, Evanston, Illinois (USA) Material Science Division, Argonne National Laboratory, Argonne, Illinois (USA)
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.
- DOE Contract Number:
- W-31-109-ENG-38
- OSTI ID:
- 5238244
- Journal Information:
- Physical Review, B: Condensed Matter; (United States), Vol. 44:9; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
Similar Records
Water Induced Surface Reconstruction of the Oxygen (2x1) covered Ru(0001)
Induced magnetism of 4d transition metals: Rh and Ru/Fe(001) overlayers and sandwiches
Related Subjects
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
IRON
ANTIFERROMAGNETISM
MICROSTRUCTURE
RUTHENIUM
BAND THEORY
DENSITY
ELECTRONIC STRUCTURE
FILMS
FUNCTIONALS
GROUND STATES
HCP LATTICES
HYBRIDIZATION
LAYERS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
ELEMENTS
ENERGY LEVELS
FUNCTIONS
HEXAGONAL LATTICES
MAGNETISM
METALS
PHYSICAL PROPERTIES
PLATINUM METALS
TRANSITION ELEMENTS
360104* - Metals & Alloys- Physical Properties
656002 - Condensed Matter Physics- General Techniques in Condensed Matter- (1987-)