dc.contributor.author | Konstantinou, Konstantinos | |
dc.contributor.author | Mocanu, Felix C. | |
dc.contributor.author | Akola, Jaakko | |
dc.contributor.author | Elliott, Stephen R. | |
dc.date.accessioned | 2023-03-06T13:35:37Z | |
dc.date.available | 2023-03-06T13:35:37Z | |
dc.date.created | 2022-04-08T13:41:54Z | |
dc.date.issued | 2022 | |
dc.identifier.citation | Acta Materialia. 2022, 223 . | en_US |
dc.identifier.issn | 1359-6454 | |
dc.identifier.uri | https://hdl.handle.net/11250/3056110 | |
dc.description.abstract | Structural relaxation of amorphous phase-change-memory materials has been attributed to defect-state annihilation from the band gap, leading to a time-dependent drift in the electrical resistance, which hinders the development of multi-level memory devices with increased data-storage density. In this computational study, homogeneous electric fields have been applied, by utilizing a Berry-phase approach with hybrid-density-functional-theory simulations, to ascertain their effect on the atomic and electronic structures associated with the mid-gap states in models of the prototypical glassy phase-change material, Ge2Sb2Te5. Above a threshold value, electric fields remove spatially localized defects from the band gap and transform them into delocalized conduction-band-edge electronic states. A lowering of the nearest-neighbor coordination of Ge atoms in the local environment of the defect-host motif is observed, accompanied by a breaking of 4-fold rings. This engineered structural relaxation, through electric-field tuning of electronic and geometric properties in the amorphous phase, paves the way to the design of optimized glasses. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Elsevier B. V. | en_US |
dc.rights | Navngivelse 4.0 Internasjonal | * |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/deed.no | * |
dc.title | Electric-field-induced annihilation of localized gap defect states in amorphous phase-change memory materials | en_US |
dc.title.alternative | Electric-field-induced annihilation of localized gap defect states in amorphous phase-change memory materials | en_US |
dc.type | Peer reviewed | en_US |
dc.type | Journal article | en_US |
dc.description.version | publishedVersion | en_US |
dc.source.pagenumber | 11 | en_US |
dc.source.volume | 223 | en_US |
dc.source.journal | Acta Materialia | en_US |
dc.identifier.doi | 10.1016/j.actamat.2021.117465 | |
dc.identifier.cristin | 2016218 | |
cristin.ispublished | true | |
cristin.fulltext | original | |
cristin.qualitycode | 2 | |