Effect of the surface polarization in polar perovskites studied from first principles

M. Fechner; S. Ostanin; I. Mertig

doi:10.1103/PhysRevB.77.094112

Effect of the surface polarization in polar perovskites studied from first principles

Materials Science 2008-03-12 v1

Authors: M. Fechner , S. Ostanin , I. Mertig

View on arXiv ↗ PDF ↗ DOI ↗

Abstract

The (001) surfaces of polar perovskites BaTiO $_3$ and PbTiO $_3$ 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 $>$ 0.1 \AA above Ti, this leads to metallic instead of the insulating behavior of the electronic states that may have important implications for multiferroic tunneling junctions.

Keywords

ferroelectric ferroelectric thin films perovskite magnetism

Cite

@article{arxiv.0802.3134,
  title  = {Effect of the surface polarization in polar perovskites studied from first principles},
  author = {M. Fechner and S. Ostanin and I. Mertig},
  journal= {arXiv preprint arXiv:0802.3134},
  year   = {2008}
}

Comments

5 Pages, 4 figures, accepted by PRB

Related papers

View all related →