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Please use this identifier to cite or link to this item: http://hdl.handle.net/2262/31372

Title: Magnetic coupling in Co Cr2 O4 and Mn Cr2 O4: An LSDA+U study
Author: EDERER, CLAUDE
Author's Homepage: http://people.tcd.ie/edererc
Keywords: Physics
Issue Date: 2007
Publisher: American Physical Society
Citation: Ederer, C., Komelj, M. 'Magnetic coupling in Co Cr2 O4 and Mn Cr2 O4: An LSDA+U study' in Physical Review B - Condensed Matter and Materials Physics, 76, (6), 2007, no. 064409
Series/Report no.: Physical Review B - Condensed Matter and Materials Physics
76
6
Abstract: We present a first principles LSDA+U study of the magnetic coupling constants in the spinel magnets CoCr2O4 and MnCr2O4. Our calculated coupling constants highlight the possible importance of AA interactions in spinel systems with magnetic ions on both A and B sites. Furthermore, we show that a careful analysis of the dependence of the magnetic coupling constants on the LSDA+U parameters provides valuable insights in the underlying coupling mechanisms and allows to obtain a quantitative estimate of the magnetic coupling constants. We discuss in detail the capabilities and possible pitfalls of the LSDA+U method in determining magnetic coupling constants in complex transition metal oxides.
Description: PUBLISHED
URI: http://dx.doi.org/10.1103/PhysRevB.76.064409
http://hdl.handle.net/2262/31372
Appears in Collections:Physics (Scholarly Publications)

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