239 citations · 274 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2008★ 239 cited
Defect Formation Energies without the Band-Gap Problem: Combining DFT and GW for the Silicon Self-Interstitial
Patrick Rinke, Anderson Janotti, Matthias Scheffler +1
We present an improved method to calculate defect formation energies that overcomes the band-gap problem of Kohn-Sham density-functional theory (DFT) and reduces the self-interacti…
cond-mat.str-el2008★ 35 cited
Multiplets Matter: The Electronic Structure of Rare-Earth Semiconductors and Semimetals
Leonid V. Pourovskii, Kris T. Delaney, Chris G. Van de Walle +2
We demonstrate that a theoretical framework fully incorporating intra-atomic correlations and multiplet structure of the localized 4f states is required in order to capture the ess…