Physics – Condensed Matter – Materials Science
Scientist
Physics
Condensed Matter
Materials Science
Scientist
NCCR
Band Offsets at Semiconductor-Oxide Interfaces from Hybrid Density Functional Calculations
Band-edge problem in the theoretical determination of defect energy levels: the O vacancy in ZnO as a benchmark case
Charge state of the O$_{2}$ molecule during silicon oxidation through hybrid functional calculations
Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem
Hybrid-functional calculations with plane-wave basis sets: The effect of the singularity correction on total energies, energy eigenvalues, and defect energy levels
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