  We have carried out first-principles total-energy calculations of (001)
surfaces of the tetragonal and cubic phases of BaTiO3. Both BaO-terminated
(type I) and TiO2-terminated (type II) surfaces are considered, and the atomic
configurations have been fully relaxed. We found no deep-gap surface states for
any of the surfaces, in agreement with previous theoretical studies. However,
the gap is reduced for the type-II surface, especially in the cubic phase. The
surface relaxation energies are found to be substantial, i.e., many times
larger than the bulk ferroelectric well depth. Nevertheless, the influence of
the surface upon the ferroelectric order parameter is modest; we find only a
small enhancement of the ferroelectricity near the surface.
