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Crystal structures of Fe4C vs. Fe4N analysed by DFT calculations: Fcc-based interstitial superstructures explored

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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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Azimi-Manavi,  Behnaz
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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

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Leineweber, A., Hickel, T., Azimi-Manavi, B., & Maisel, S. (2017). Crystal structures of Fe4C vs. Fe4N analysed by DFT calculations: Fcc-based interstitial superstructures explored. Acta Materialia, 140, 433-442. doi:10.1016/j.actamat.2017.08.059.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002E-8CD1-6
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