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Vacancy formation energies in fcc metals: Influence of exchange-correlation functionals and correction schemes

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Nazarov,  Roman
Computational Phase Studies, 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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Nazarov, R., Hickel, T., & Neugebauer, J. (2012). Vacancy formation energies in fcc metals: Influence of exchange-correlation functionals and correction schemes. Physical Review B, 85(14): 144118. doi:10.1103/PhysRevB.85.144118.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-2A21-C
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