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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/3097
Title: Calculation of magnetic exchange couplings in the S=3/2 honeycomb system (Bi3Mn4O12)NO3 from first principles
Authors: Kandpal H.C.
Van Den Brink J.
Published in: Physical Review B - Condensed Matter and Materials Physics
Abstract: Absence of magnetic ordering in Bi3Mn4O 12(NO3) (BMNO) which has a magnetic subsystem that consists of honeycomb bilayers of Mn4+ ions with spin S=3/2 has raised the expectation that its ground state is strongly frustrated due to longer range antiferromagnetic interactions. We calculate the magnetic exchange coupling constants of the BMNO complex within a density functional approach and find that the dominating interactions between Mn spins are the antiferromagnetic nearest-neighbor J1 and the effective interlayer interaction J c. The largest interaction is Jc, which substantially exceeds J1. Longer range interactions are antiferromagnetic but not strongly frustrating. © 2011 American Physical Society.
Citation: Physical Review B - Condensed Matter and Materials Physics (2011), 83(14): -
URI: https://doi.org/10.1103/PhysRevB.83.140412
http://repository.iitr.ac.in/handle/123456789/3097
Issue Date: 2011
ISSN: 10980121
Author Scopus IDs: 7003383488
7005818514
Author Affiliations: Kandpal, H.C., Institute for Theoretical Solid State Physics, IFW Dresden, D-01171 Dresden, Germany
Van Den Brink, J., Institute for Theoretical Solid State Physics, IFW Dresden, D-01171 Dresden, Germany
Corresponding Author: Kandpal, H.C.; Institute for Theoretical Solid State Physics, IFW Dresden, D-01171 Dresden, Germany
Appears in Collections:Journal Publications [CY]

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