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Ab initio based determination of thermodynamic properties of cementite including vibronic, magnetic and electronic excitations

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Dick,  Alexey
Precipitation and Kinetics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Körmann,  Fritz
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Hickel,  Tilmann
Computational Phase Studies, 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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Dick, A., Körmann, F., Hickel, T., & Neugebauer, J. (2011). Ab initio based determination of thermodynamic properties of cementite including vibronic, magnetic and electronic excitations. Physical Review B, 84(12): 125101. doi:10.1103/PhysRevB.84.125101.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0019-3033-8
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