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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: https://hdl.handle.net/11858/00-001M-0000-0024-A7A3-5 Version Permalink: https://hdl.handle.net/21.11116/0000-000B-605B-3
Genre: Journal Article

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2014-02-10_physical_review_x_breakdown_of_the_arrhenius_law_in_describing_vacancy_formation_energies.pdf (Publisher version), 635KB
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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: 2014
 Publication Status: Issued
 Pages: -
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 Rev. Type: -
 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: https://pure.mpg.de/cone/journals/resource/2160-3308