Accurate electronic free energies of the 3d, 4d, and 5d transition metals at 
high temperatures

Zhang, Xi; Grabowski, Blazej; Körmann, Fritz; Freysoldt, Christoph; Neugebauer, Jörg

doi:10.1103/PhysRevB.95.165126

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Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperatures

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Zhang, Xi
Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Grabowski, Blazej
Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Freysoldt, Christoph
Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Neugebauer, Jörg
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Zhang, X., Grabowski, B., Körmann, F., Freysoldt, C., & Neugebauer, J. (2017). Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperatures. Physical Review B, 95(16): 165126. doi:10.1103/PhysRevB.95.165126.

Cite as: https://hdl.handle.net/11858/00-001M-0000-002E-5DCB-7

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