collaborators

1 paper

cond-mat.mtrl-sci2004

Ab initio calculations of the atomic and electronic structures for ABO3 perovskite (001) surfaces

S. Piskunov, E. A. Kotomin, E. Heifets

We present the results of first-principles calculations on two possible terminations of the (001) surfaces of SrTiO3 (STO), BaTiO3 (BTO), and PbTiO3 (PTO) perovskite crystals. Atom…