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Audrius Alkauskas

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Audrius Alkauskas

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A hybrid density functional study of lithium in ZnO: Stability, ionization levels, and diffusion

Li-related defects in ZnO : hybrid functional calculations

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

Band offsets at semiconductor-oxide interfaces from hybrid density-functional calculations

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

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

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

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

Effect of improved band-gap description in density functional theory on defect energy levels in alpha-quartz

Alignment of hydrogen-related defect levels at the Si-SiO2 interface