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

Simple item page
dc.creatorFechner, M.
dc.creatorOstanin, S.
dc.creatorMertig, I.
dc.date2008-02-21
dc.date.accessioned2026-07-07T09:26:05Z
dc.date.available2026-07-07T09:26:05Z
dc.descriptionThe (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 Åabove Ti, this leads to metallic instead of the insulating behavior of the electronic states that may have important implications for multiferroic tunneling junctions.
dc.description5 Pages, 4 figures, accepted by PRB
dc.identifierhttps://arxiv.org/abs/0802.3134
dc.identifierhttp://arxiv.org/abs/0802.3134
dc.identifierPhysical Review B (Vol.77, No.9) 2008
dc.identifierdoi:10.1103/PhysRevB.77.094112
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/156630
dc.subjectMaterials Science
dc.titleEffect of the surface polarization in polar perovskites studied from first principles
dc.typetext

Files

Collections

arXiv