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dc.contributor.authorJegert G
dc.contributor.authorPopescu D
dc.contributor.authorLugli P
dc.contributor.authorHaufel MJ
dc.contributor.authorWeinreich W
dc.contributor.authorKersch A
dc.contributor.editor
dc.date2017-07-26T00:00:00Z
dc.date.accessioned2017-11-21T12:47:55Z
dc.date.available2017-11-21T12:47:55Z
dc.date.issued2012
dc.identifier.issn1098-0121
dc.identifier.urihttp://dx.doi.org/10.1103/PhysRevB.85.045303
dc.identifier.urihttps://journals.aps.org/prb/abstract/10.1103/PhysRevB.85.045303
dc.identifier.urihttp://hdl.handle.net/10863/4072
dc.description.abstractWe assess the impact of structural relaxation of defects upon charging on trap-assisted tunneling in high-kappa dielectric materials. ZrO(2)/Al(2)O(3)/ZrO(2) thin films are taken as an exemplary system. In our completely different approach, a first-principles defect model is derived from Hedins GW approximation calculations, which is then coupled to kinetic Monte Carlo charge transport simulations. Comparison between simulation and experiment demonstrates that it is often imperative to take structural relaxation processes into account when modeling nanoscale transport across defect states.en_US
dc.language.isoenen_US
dc.publisherAMER PHYSICAL SOCen_US
dc.rights
dc.titleRole of defect relaxation for trap-assisted tunneling in high-kappa thin films: A first-principles kinetic Monte Carlo studyen_US
dc.typeArticleen_US
dc.date.updated2017-07-31T10:23:48Z
dc.publication.title
dc.language.isiEN-GB
dc.journal.titlePhysical review B: Condensed matter and materials physics
dc.description.fulltextopenen_US


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