학술논문
BiMnPO5 with ferromagnetic Mn2+ –(μ-O)2 –Mn2+ units: a model for magnetic exchange in edge-linked Mn2+ O6 octahedra.
Document Type
Article
Author
Source
Subject
*OCTAHEDRA
*DENSITY functional theory
*NEUTRON diffraction
*BIOLOGICAL systems
*MODEL theory
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Language
ISSN
1359-7345
Abstract
Magnetic interactions within Mn–(μ-O)2–Mn pairs are crucial to the function of some essential enzymes and catalysts, but their nature is unclear. Neutron diffraction reveals that similar units in BiMnPO5 show ferromagnetic coupling which has been rationalized by density functional theory modelling and calculations of magnetic exchange energies. The results are important to many solid state and biological systems. [ABSTRACT FROM AUTHOR]