Regensburg 2010 – scientific programme
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KR: Fachverband Kristallographie
KR 9: Multiferroics II (Joint Session of MA, DF, KR, DS)
KR 9.7: Talk
Monday, March 22, 2010, 15:30–15:45, H3
Strain effects in spinel ferrite thin films from first principles calculations — •Daniel Fritsch and Claude Ederer — School of Physics, Trinity College Dublin, Ireland
We present density functional theory calculations of the structural and magnetic properties of the inverse spinel systems CoFe2O4 (CFO) and NiFe2O4 (NFO). Both are insulating magnets with high magnetic ordering temperatures and large saturation magnetization, which have been of particular interest over the past few years as building blocks of multiferroic heterostructures [1]. In order to effectively design the magneto-electric response of such multiferroic heterostructures, a clear picture of strain-induced changes in the magnetic properties of CFO and NFO is particularly important. Here we present results for the structural and magnetic properties of both CFO and NFO, with special emphasis on strain-induced changes in the magneto-crystalline anisotropy energy (MAE). Our results are representative for (001)-oriented thin films of CFO and NFO, grown on different lattice-mismatched substrates. We find a large and strongly strain-dependent MAE for CFO, and a significantly smaller but also strongly strain-dependent MAE for NFO. We discuss the influence of cation order within the inverse spinel structure and analyze the effect of different exchange correlation functionals on the structural and magnetic properties.
[1] H. Zheng et al., Science 303, 661 (2004).
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