Oscillatory magnetic coupling in Cr{sub 2}O{sub n} (n=1-6) clusters

Journal Article · Tue Feb 15 04:00:00 EST 2000 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.61.5797· OSTI ID:20215520

Reddy, B V ^[1]; Khanna, S N ^[1]; Ashman, C ^[1]

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1. Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284-2000 (United States)

Theoretical electronic structure studies on Cr{sub 2}O{sub n} (n=1-6) clusters have been carried out to investigate the effect of chemical composition on the magnetic behavior. It is shown that while the successive addition of O atoms to Cr{sub 2} leads to a gradual quenching of the Cr moment, the magnetic coupling between the Cr sites oscillates from antiferromagnetic to ferromagnetic and back. Detailed electronic structure analysis has been carried out to relate the progression of magnetic behaviors to the mixing between the Cr d and O p states. (c) 2000 The American Physical Society.

• OSTI ID: 20215520
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 8 Vol. 61; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ANTIFERROMAGNETISM
CHEMICAL COMPOSITION
CHROMIUM OXIDES
ELECTRONIC STRUCTURE
FERROMAGNETISM
MAGNETIC MOMENTS
MOLECULAR ORBITAL METHOD
SOLID CLUSTERS
THEORETICAL DATA