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Defects

C Freysoldt, B Grabowski, T Hickel, J Neugebauer, G Kresse, A Janotti, C G Van de Walle, First-principles calculations for point defects in solids, RMP 86, 253 (2014)

C G Van de Walle, A Janotti, Advances in electronic structure methods for defects and impurities in solids, PSSB 248, 19 (2011)

M Giantomassi, M Stankovski, R Shaltaf, M Gruning, F Bruneval, P Rinke, G Rignanese, Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications, PSSB 248, 275 (2011)

Theory of defects in semiconductors, ed D A Drabold, S K Estreicher (Springer, 2007)


D Sheppard, P Xiao, W Chemelewski, D D Johnson, G Henkelman, A generalized solid-state nudged elastic band method, JCP 136, 074103 (2012)

C Freysoldt, J Neugebauer, C G Van de Walle, Electrostatic interactions between charged defects in supercells, PSSB 248, 1067 (2011)

W Ku, T Berlijn, C Lee, Unfolding First-Principles Band Structures, PRL 104, 216401 (2010)