Indications of weak electronic correlations in SrRuO3 from first-principles 
calculations

Etz, C.; Maznichenko, I. V.; Böttcher, D.; Henk, J.; Yaresko, A. N.; Hergert, W.; Mazin, I. I.; Mertig, I.; Ernst, A.

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Indications of weak electronic correlations in SrRuO₃ from first-principles calculations

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Yaresko, A. N.
Department Quantum Materials (Hidenori Takagi), Max Planck Institute for Solid State Research, Max Planck Society;
Department Solid State Spectroscopy (Bernhard Keimer), Max Planck Institute for Solid State Research, Max Planck Society;

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Mazin, I. I.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Etz, C., Maznichenko, I. V., Böttcher, D., Henk, J., Yaresko, A. N., Hergert, W., et al. (2012). Indications of weak electronic correlations in SrRuO₃ from first-principles calculations. Physical Review B, 86(6): 064441.

Cite as: https://hdl.handle.net/21.11116/0000-000E-C317-C

Abstract

We provide, by a detailed first-principles investigation, evidence for weak electronic correlations in SrRuO3. The magnetism in SrRuO3, in terms of the equilibrium magnetization and critical temperature, is well described by the generalized gradient approximation. Including Hubbard-type correlations results in worse agreement with experiment.