Chemically Induced Oscillatory Exchange Coupling in Chromium Oxide Clusters
Journal Article
·
· Physical Review Letters
- Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284-2000 (United States)
Theoretical electronic structure studies of the ground state geometries, binding energies, and magnetic coupling of Cr{sub 2}O {sub n} (n=1{endash}6) clusters have been carried out within a density functional scheme. It is shown that the magnetic coupling of the Cr atoms oscillates from antiferromagnetic to ferromagnetic and back as O atoms are added. Detailed electronic structure analysis reveals that the oscillatory exchange coupling has a chemical origin and is induced by changes in the electronic states between Cr and O sites close to the Fermi energy. {copyright} {ital 1999} {ital The American Physical Society }
- OSTI ID:
- 686910
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 16 Vol. 83; ISSN 0031-9007; ISSN PRLTAO
- Country of Publication:
- United States
- Language:
- English
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