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The free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions

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

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Dick,  A.
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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

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Hickel,  T.
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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

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Körmann, F., Dick, A., Grabowski, B., Hickel, T., & Neugebauer, J. (2008). The free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Talk presented at International Workshop on Ab initio Description of Iron and Steel (ADIS2008). Ringberg Castle, Germany. 2008-06-15 - 2008-06-20.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0019-4897-D
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