DERIVING AN EMPIRICAL POTENTIAL FOR FERROELECTRIC LiNbO3

DC FieldValueLanguage
dc.contributor.authorTomlinson, S. M.
dc.contributor.authorCatlow, C. R. A.
dc.contributor.authorDonnerberg, H.
dc.contributor.authorLeslie, M.
dc.date.accessioned2021-12-23T16:16:08Z-
dc.date.available2021-12-23T16:16:08Z-
dc.date.issued1990
dc.identifier.issn08927022
dc.identifier.urihttps://osnascholar.ub.uni-osnabrueck.de/handle/unios/11737-
dc.description.abstractWe describe the derivation of a potential model for ferroelectric lithium niobate, by means of fitting parameters in the potential to the experimentally determined structure and properties of the material. In doing so we highlight the strengths and limitations of the technique, compared to theoretical methods for calculating the parameters. We also see that it is important to include ionic polarisation directly in the fit, owing to the role of polarisation in stabilising the ferroelectric structure.
dc.language.isoen
dc.publisherTAYLOR & FRANCIS LTD
dc.relation.ispartofMOLECULAR SIMULATION
dc.subjectatomistic simulation
dc.subjectChemistry
dc.subjectChemistry, Physical
dc.subjectferroelectric
dc.subjectLithium niobate
dc.subjectPhysics
dc.subjectPhysics, Atomic, Molecular & Chemical
dc.subjectpolarisation
dc.subjectpotential model
dc.titleDERIVING AN EMPIRICAL POTENTIAL FOR FERROELECTRIC LiNbO3
dc.typejournal article
dc.identifier.doi10.1080/08927029008022396
dc.identifier.isiISI:000208985300008
dc.description.volume4
dc.description.issue5
dc.description.startpage335
dc.description.endpage339
dc.contributor.orcid0000-0002-1341-1541
dc.identifier.eissn10290435
dc.publisher.place4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
dcterms.isPartOf.abbreviationMol. Simul.
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