Giant Magnetic Moments and Magnetic Bistability of Stoichiomatric MnO Clusters

Journal Article · Thu Oct 01 04:00:00 EDT 1998 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.81.2970· OSTI ID:662279

Nayak, S K; Jena, P ^[1]

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

{ital Abthinspthinspinitio} calculations based on density functional theory and generalized gradient approximation reveal many unusual features of stoichiometric (MnO){sub x} (x{le}9) clusters that contrast with their bulk behavior. The clusters are ferromagnetic and carry atomiclike magnetic moments ranging from 4{mu}{sub B} to 5{mu}{sub B} per MnO unit, and the moments are localized at the Mn sites. The (MnO){sub 8} cluster, in particular, exhibits nearly degenerate ferromagnetic and atypical antiferromagnetic solutions with the ferromagnetic structure carrying a moment of 40{mu}{sub B} . The structures of (MnO){sub x} clusters are also unique with cubic and hexagonal forms competing for stability. (MnO){sub 2} and (MnO){sub 3} are unusually stable and form the foundation for further growth. {copyright} {ital 1998} {ital The American Physical Society}

• OSTI ID: 662279
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 14 Vol. 81; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ATOMIC CLUSTERS
CHEMICAL BONDS
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
FERROMAGNETISM
MAGNETIC MOMENTS
MANGANESE COMPOUNDS
MANGANESE OXIDES
STABILITY
STOICHIOMETRY