Breakdown of the Arrhenius law in describing vacancy formation energies: The 
importance of local anharmonicity revealed by Ab initio thermodynamics

Glensk, Albert; Grabowski, Blazej; Hickel, Tilmann; Neugebauer, Jörg

doi:10.1103/PhysRevX.4.011018

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Breakdown of the Arrhenius law in describing vacancy formation energies: The importance of local anharmonicity revealed by Ab initio thermodynamics

Glensk, A., Grabowski, B., Hickel, T., & Neugebauer, J. (2014). Breakdown of the Arrhenius law in describing vacancy formation energies: The importance of local anharmonicity revealed by Ab initio thermodynamics. Physical Review X, 4(1): 011018. doi:10.1103/PhysRevX.4.011018.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-A7A3-5 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0028-5BDE-1

Genre: Journal Article

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Creators:
Glensk, Albert¹, Author
Grabowski, Blazej², Author
Hickel, Tilmann¹, Author
Neugebauer, Jörg³, Author

Affiliations:
1Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341
2Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863339
3Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337

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Language(s): eng - English

Dates: Published in Print: 2014

Publication Status: Published in print

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Identifiers: DOI: 10.1103/PhysRevX.4.011018

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Title: Physical Review X

Abbreviation : Phys. Rev. X

Source Genre: Journal

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Pages: - Volume / Issue: 4 (1) Sequence Number: 011018 Start / End Page: - Identifier: Other: 2160-3308
DOI: 10.1103/PhysRevX.4.011018
CoNE: /journals/resource/2160-3308