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Band alignments and defect levels in Si-HfO2 gate stacks: Oxygen vacancy and Fermi-level pinning

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Band alignments and defect levels in Si-HfO2 gate stacks: Oxygen vacancy and Fermi-level pinning

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Identification and thermal healing of focused ion beam-induced defects in GaN using off-axis electron holography

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Range-separated hybrid functionals for accurate prediction of band gaps of extended systems

One-Shot Approach for Enforcing Piecewise Linearity on Hybrid Functionals: Application to Band Gap Predictions

Nonempirical hybrid functionals for advanced electronic-structure calculations

Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps

Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

Learning the electronic density of states in condensed matter

Band alignment at the CaF2/Si(111) interface through advanced electronic structure calculations

Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations