First-principles studies of lone-pair-induced distortions in epitaxial phases of perovskite SnTiO3 and PbTiO3 by Krishna Pitike, William Parker, Lydie Louis, and Serge Nakhmanson. This is the first paper that was produced together with the members of my new UConn group. The picture below shows the lone pair charge density distribution in SnTiO3 and PbTiO3 with polarization pointing along different crystallographic directions, or with no polarization in the rightmost column.
