Dimer Growth, Structural Transition, and Antiferromagnetic Ordering of Small Chromium Clusters

Journal Article · Mon Jul 01 04:00:00 EDT 1996 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.77.51· OSTI ID:288959

Cheng, H; Wang, L ^[1]

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1. Air Products and Chemicals, Inc., 7201 Hamilton Boulevard, Allentown, Pennsylvania 18195 (United States)

The evolution of structural and magnetic properties of small chromium clusters towards the bulk is elucidated through a systematic density functional study. A tightly bound Cr{sub 2}dimer is found to play a key role in determining the cluster structures. A unique dimer growth route is discovered for clusters up to Cr{sub 11}, at which a structural transition occurs from the dimer growth to a bulklike body-centered-cubic structure. All the clusters exhibit antiferromagnetic ordering with size-dependent magnetic moments. {copyright} {ital 1996 The American Physical Society.}

• Research Organization: Pacific Northwest National Laboratory
• DOE Contract Number: AC06-76RL01830
• OSTI ID: 288959
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 1 Vol. 77; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
ANTIFERROMAGNETIC MATERIALS
ATOMIC CLUSTERS
CHROMIUM
DENSITY FUNCTIONAL METHOD
DIMERS
GROWTH
MAGNETIC MOMENTS
MAGNETIC ORDERING
MAGNETIC PROPERTIES