Atomistic simulation of SrTiO3 and BaTiO3 (110) surface relaxations
DC Element | Wert | Sprache |
---|---|---|
dc.contributor.author | Heifets, E | |
dc.contributor.author | Kotomin, EA | |
dc.date.accessioned | 2021-12-23T16:14:14Z | - |
dc.date.available | 2021-12-23T16:14:14Z | - |
dc.date.issued | 2000 | |
dc.identifier.issn | 00406090 | |
dc.identifier.uri | https://osnascholar.ub.uni-osnabrueck.de/handle/unios/10977 | - |
dc.description.abstract | The (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.iso | en | |
dc.publisher | ELSEVIER SCIENCE SA | |
dc.relation.ispartof | THIN SOLID FILMS | |
dc.subject | AB-INITIO | |
dc.subject | atomistic simulation | |
dc.subject | COMPUTER-SIMULATION | |
dc.subject | INTERFACES | |
dc.subject | Materials Science | |
dc.subject | Materials Science, Coatings & Films | |
dc.subject | Materials Science, Multidisciplinary | |
dc.subject | OXIDES | |
dc.subject | Physics | |
dc.subject | Physics, Applied | |
dc.subject | Physics, Condensed Matter | |
dc.subject | SCANNING-TUNNELING-MICROSCOPY | |
dc.subject | SPECTROSCOPY | |
dc.subject | surface and interface states | |
dc.subject | TITANATE | |
dc.title | Atomistic simulation of SrTiO3 and BaTiO3 (110) surface relaxations | |
dc.type | letter to the editor | |
dc.identifier.doi | 10.1016/S0040-6090(99)00686-0 | |
dc.identifier.isi | ISI:000084649700001 | |
dc.description.volume | 358 | |
dc.description.issue | 1-2 | |
dc.description.startpage | 1 | |
dc.description.endpage | 5 | |
dc.contributor.orcid | 0000-0002-1667-5104 | |
dc.contributor.orcid | 0000-0002-8122-6276 | |
dc.contributor.researcherid | C-8776-2011 | |
dc.contributor.researcherid | B-8070-2013 | |
dc.publisher.place | PO BOX 564, 1001 LAUSANNE, SWITZERLAND | |
dcterms.isPartOf.abbreviation | Thin Solid Films |
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geprüft am 21.05.2024