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

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Glensk, Albert
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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

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

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2014-02-10_physical_review_x_breakdown_of_the_arrhenius_law_in_describing_vacancy_formation_energies.pdf
(出版社版), 635KB

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引用

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):. doi:10.1103/PhysRevX.4.011018.

引用: https://hdl.handle.net/11858/00-001M-0000-0024-A7A3-5

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