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Charge transition levels of carbon-, oxygen-, and hydrogen-related defects at the SiC/SiO2 interface through hybrid functionals

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Charge transition levels of carbon-, oxygen-, and hydrogen-related defects at the SiC/SiO2 interface through hybrid functionals

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Defect levels of dangling bonds in silicon and germanium through hybrid functionals

Charge transition levels of the Ge dangling bond defect at Ge/insulator interfaces

First-principles study of defects at the SiC/SiO2 interface through hybrid functionals

Band offsets at the Si/SiO2 interface from many-body perturbation theory

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

Defect energy levels in density functional calculations: Alignment and band gap problem

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Charge state of the O-2 molecule during silicon oxidation through hybrid functional calculations

Band gap opening at the 6H-SiC(0001) surface passivated by an epitaxial silicon oxynitride layer: A first-principles investigation

Structural and electronic properties of an abrupt 4H-SiC(0001)/SiO2 interface model: Classical molecular dynamics simulations and density functional calculations