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Surfaces and interfaces

J S Park, Y K Jung, K T Butler, A Walsh, Quick-start guide for first-principles modelling of semiconductor interfaces, J Phys Energy 1, 016001 (2019)


C Sousa, S Tosoni, F Illas, Theoretical Approaches to Excited-State-Related Phenomena in Oxide Surfaces, CR 113, 4456 (2013)


L Weston, H Tailor, K Krishnaswamy, L Bjaalie, C Van de Walle, Accurate and efficient band-offset calculations from density functional theory, CMS 151, 174 (2018) – doi

W Sun, G Ceder, Efficient creation and convergence of surface slabs, Surf Sci 617, 53 (2013)