Max Planck Institute for Sustainable Materials

Publications of Patrice E. A. Turchi

All genres

Journal Article (1)

Journal Article

Palumbo, M.; Burton, B. P.; Costa e Silva, A. L. V.; Fultz, B. T.; Grabowski, B.; Grimvall, G.; Hallstedt, B.; Hellman, O.; Lindahl, B. B.; Schneider, A. et al.; Turchi, P. E. A.; Xiong, W.: Thermodynamic modelling of crystalline unary phases. Physica Status Solidi B 251 (1), pp. 14 - 32 (2014)

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Group Leader

Dr. Christoph Freysoldt

Group Leader +49 211 6792 961 freysoldt@...

Key Publications

Christoph Freysoldt, Blazej Grabowski, Tilmann Hickel, Jörg Neugebauer, Georg Kresse, Anderson Janotti, and Chris G. Van de Walle, "First-principles calculations for point defects in solids," Reviews of Modern Physics 86 (1), 253 (2014).

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Sixten Boeck, Christoph Freysoldt, Alexey Dick, Lars Ismer, and Jörg Neugebauer, "The object-oriented DFT program library S/PHI/nX," Computer Physics Communications 182 (3), 543-554 (2011).

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Christoph Freysoldt, Jörg Neugebauer, and Chris G. Van de Walle, "Fully ab initio finite-size corrections for charged defect supercell calculations," Physical Review Letters 102 (1), 016402 (2009).

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