Full-potential band calculations onYTiO3with a distorted perovskite structure

Abstract
The energy band structure of YTiO3 was examined using the full-potential linear augmented-plane-wave method with the local-density approximation. Our calculations show that experimentally observed ferromagnetism and lattice distortion are necessary conditions for YTiO3 to have a band gap at the Fermi level, although the cubic perovskite structure of TYiO3 shows no signs of its being an insulator.