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

Color centers in NaCl by hybrid functionals

Alignment of defect levels and band edges through hybrid functionals: Effect of screening in the exchange term

Band offsets at the Ge/GeO2 interface through hybrid density functionals

First principles study of substoichiometric germanium oxides

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

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

In silico DNA-binding and rational design of ruthenium-arene anticancer drugs

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

Amorphous hafnium silicates: structural, electronic and dielectric properties