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Band alignment and chemical bonding at the GaAs/Al2O3 interface: A hybrid functional study

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Band alignment and chemical bonding at the GaAs/Al2O3 interface: A hybrid functional study

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Band alignment at beta-Ga2O3/III-N (III = Al, Ga) interfaces through hybrid functional calculations

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

Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study

Atomic bonding effects in annular dark field scanning transmission electron microscopy. I. Computational predictions

Development of Accurate and Efficient Electronic Structure Approaches for the Description of Organic Systems

Anisotropic transport properties of tungsten disulfide

Dipole codes attractively encode glue functions

First-principles determination of defect energy levels through hybrid density functionals and GW

Origin of Fermi-level pinning at GaAs/oxide interfaces through the hybrid functional study of defects

Interfacial Ga-As suboxide: Structural and electronic properties