Quantum-mechanical study of single-crystalline and polycrystalline elastic 
properties of Mg-substituted calcite crystals

Friák, Martin; Zhu, Li-Fang; Lymperakis, Liverios; Titrian, Hajjir; Aydin, Ugur; Janus, Anna Maria; Fabritius, Helge-Otto; Ziegler, Andreas Siegfried; Nikolov, Svetoslav D.; Hemzalová, Pavlína; Raabe, Dierk; Neugebauer, Jörg

doi:10.4028/www.scientific.net/KEM.592-593.335

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Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals

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Friák, Martin
Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125503

Zhu, Li-Fang
Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125262

Lymperakis, Liverios
Microstructure, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125430

Titrian, Hajjir
Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125033

Aydin, Ugur
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125198

Janus, Anna Maria
Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125135

Fabritius, Helge-Otto
Biological Composites, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125330

Raabe, Dierk
Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125293

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

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Citation

Friák, M., Zhu, L.-F., Lymperakis, L., Titrian, H., Aydin, U., Janus, A. M., et al. (2014). Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. In Key Engineering Materials (pp. 335-341).

Cite as: https://hdl.handle.net/11858/00-001M-0000-0024-A346-8

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