144 citations · 1.3k across the 37 of their papers we have counts for
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cond-mat.mtrl-sci2012★ 3 cited
Antisite traps and metastable defects in Cu(In,Ga)Se2 thin-film solar cells studied by screened-exchange hybrid density functional theory
Johan Pohl, Thomas Unold, Karsten Albe
Electronic structure calculations within screened-exchange hybrid density functional theory show that Cu(In,Ga) antisites in both CuInSe2 and CuGaSe2 are localized hole traps, whic…
cond-mat.mtrl-sci2012★ 82 cited
Modeling the electrical conductivity in BaTiO3 on the basis of first-principles calculations
Paul Erhart, Karsten Albe
The dependence of the electrical conductivity on the oxygen partial pressure is calculated for the prototypical perovskite $\Ba\TiØ_3$ based on data obtained from first-principles…
cond-mat.mtrl-sci2012
Thermodynamics of mono and di-vacancies in barium titanate
Paul Erhart, Karsten Albe
The thermodynamic and kinetic properties of mono and di-vacancy defects in cubic (para-electric) barium titanate are studied by means of density-functional theory calculations. It…