Structural, electronic, vibrational and dielectric properties of selected high-shape K semiconductor oxides

The semiconductor oxides SnO₂, HfO₂, ZrO₂, TiO₂and SrTiO₃are interesting materials for applications as high-K dielectric gate materials in silicon-based devices and spintronics, among others. Here we review our theoretical work about the structural, electronic and vibrational properties of these oxides in their most stable structural phases, including dielectric properties as derived from the electronic structure taking into account the lattice contribution. Finally, we address the recent role played by the presence of transition metal atoms in semiconductor oxides, considering in particular SnO₂as an example in forming diluted magnetic alloys.