Atomistic simulation of SrTiO3 and BaTiO3 (110) surface relaxations

DC ElementWertSprache
dc.contributor.authorHeifets, E
dc.contributor.authorKotomin, EA
dc.date.accessioned2021-12-23T16:14:14Z-
dc.date.available2021-12-23T16:14:14Z-
dc.date.issued2000
dc.identifier.issn00406090
dc.identifier.urihttps://osnascholar.ub.uni-osnabrueck.de/handle/unios/10977-
dc.description.abstractThe (110) surface relaxations were calculated for SrTiO3 and BaTiO3 perovskites in a cubic phase. Using a shell model, the positions of atoms in 16 near- surface layers placed atop a slab of rigid ions are calculated. The strong surface rumpling and induced surface dipole moments perpendicular to the surface are predicted for both the O-terminated and TiO-terminated surfaces. (C) 2000 Elsevier Science S.A. All rights reserved.
dc.language.isoen
dc.publisherELSEVIER SCIENCE SA
dc.relation.ispartofTHIN SOLID FILMS
dc.subjectAB-INITIO
dc.subjectatomistic simulation
dc.subjectCOMPUTER-SIMULATION
dc.subjectINTERFACES
dc.subjectMaterials Science
dc.subjectMaterials Science, Coatings & Films
dc.subjectMaterials Science, Multidisciplinary
dc.subjectOXIDES
dc.subjectPhysics
dc.subjectPhysics, Applied
dc.subjectPhysics, Condensed Matter
dc.subjectSCANNING-TUNNELING-MICROSCOPY
dc.subjectSPECTROSCOPY
dc.subjectsurface and interface states
dc.subjectTITANATE
dc.titleAtomistic simulation of SrTiO3 and BaTiO3 (110) surface relaxations
dc.typeletter to the editor
dc.identifier.doi10.1016/S0040-6090(99)00686-0
dc.identifier.isiISI:000084649700001
dc.description.volume358
dc.description.issue1-2
dc.description.startpage1
dc.description.endpage5
dc.contributor.orcid0000-0002-1667-5104
dc.contributor.orcid0000-0002-8122-6276
dc.contributor.researcheridC-8776-2011
dc.contributor.researcheridB-8070-2013
dc.publisher.placePO BOX 564, 1001 LAUSANNE, SWITZERLAND
dcterms.isPartOf.abbreviationThin Solid Films
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