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
Physical Review B - Condensed Matter and Materials Physics 76 6
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.
Please note: There is a known bug in some browsers that causes an
error when a user tries to view large pdf file within the browser window.
If you receive the message "The file is damaged and could not be
repaired", please try one of the solutions linked below based on the
browser you are using.
Items in TARA are protected by copyright, with all rights reserved, unless otherwise indicated.