Ab initio calculations of the SrTiO3 (110) polar surface (2004)
Heifets, E., Goddard III, W. A., Kotomin, E. A., Eglitis, R. I., Borstel, G.
Results of ab initio Hartree-Fock calculations for the SrTiO3 (110) polar surface are discussed. We have calculated the surface energies, near-surface atomic displacements for four possible...