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January 5, 2009Physical Review Letters

FullyAb InitioFinite-Size Corrections for Charged-Defect Supercell Calculations

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Authors

CFChristoph FreysoldtMax-Planck-Institut für Nachhaltige MaterialienJNJörg NeugebauerFH JOANNEUM University of Applied SciencesChris G. Van de WalleChris G. Van de WalleRutgers, The State University of New Jersey

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Freysoldt et al. (2009) studied this question.

synapsesocial.com/papers/69d96efe5e5bcb4e3b836687https://doi.org/10.1103/physrevlett.102.016402
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