The (001) surfaces of polar perovskites BaTiO3 and PbTiO3 have been studied from first principles at T=0 K. For both cases of polarization, the most stable TiO-terminated interfaces show intrinsic ferroelectricity. In the topmost layer, where the O atoms are >0.1Å above Ti, this leads to metallic instead of the insulating behavior of the electronic states that may have important implications for multiferroic tunneling junctions.PACS numbers: 31.15. 68.47.Gh, 73.20.At, 77.84.Dy, Epitaxial growth technique opens the way to combine ferroelectrics (FE) and ferromagnets (FM) into multicomponent multiferroics, which are inaccessible by traditional synthesis.1,2 Currently, many laboratories across the world work on a prototypic device, consisting of a few-nm thick ferroelectric sandwiched between a ferromagnet and another metallic contact. External electric field applied to the FE phase causes a switching of its polarization P that, in turn, through the magnetoelectric coupling may change the magnetic order in the ferromagnetic phase.3 Altering P and magnetization independently for encoding information in multiferroics, the smallest quaternary logical memory might be obtained. Fundamentally new multiferroics require a better understanding of the FE order parameters, especially, in the case of thin films here the symmetry is reduced.Since direct measurements of atomic displacements, occurring in FE near the interface, is extremely challenging, their structures can be understood and numerically characterized from first principles. Recently, much work has been conducted to study bare FE surfaces using the ab initio density functional theory (DFT) calculations. 4,5,6,7,8,9,10,11,12 It has been found that the critical thickness down to 3 unit cells (1.2 nanometers) is enough to enable the existence of ferroelectricity at room temperature.13,14,15 However, there are only some convincing evidences in literature i.e. the work by Cohen 5 that the direction of P may affect the surface relaxation. The functionality of multiferroics assumes that P must be reversible and parallel to the surface normal. Hence, it is worthwhile to carry out ab initio calculations which model the reaction of the (001) surface of polar ferroelectric surfaces upon the change of its reversible P.In this report, we study the (001) surface of ABO 3 perovskites (A = Sr, Ba, Pb and B = Ti), which represent a wide class of ferroelectrics ranging from paraelectric SrTiO 3 (STO) to highly polar PbTiO 3 (PTO), while BaTiO 3 (BTO), with its moderate spontaneous polarization P s , is an example of a typical FE. The study is based on extensive calculations, using the Vienna Abinitio Simulation Package 16 (VASP), in which the effects of relaxation of atomic positions are included. Nowadays, many FE properties can be successfully calculated from first principles.17 Table I collects the experimental data for the lattice parameters and atomic positions, obtained for the room-temperature tetragonal phase of PTO and BTO (with space group symmetry P 4mm) and for cubic ST...