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DC Field | Value | Language |
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dc.contributor.author | Ikeda, Yoshitaka | en |
dc.contributor.author | Minami, Susumu | en |
dc.contributor.author | Shimada, Takahiro | en |
dc.contributor.alternative | 池田, 善孝 | ja |
dc.contributor.alternative | 見波, 将 | ja |
dc.contributor.alternative | 嶋田, 隆広 | ja |
dc.date.accessioned | 2024-12-09T05:00:46Z | - |
dc.date.available | 2024-12-09T05:00:46Z | - |
dc.date.issued | 2024-12-07 | - |
dc.identifier.uri | http://hdl.handle.net/2433/290864 | - |
dc.description.abstract | Realization of ultrasmall scale electromechanical materials has been promising for advanced functional devices. Recently, single-atom devices have been proposed as the ultimate miniaturization of functional devices beyond the nanoscale; however, achieving an atomic-scale local electromechanical response is still challenging due to physical size limitation of electromechanical properties as well as technical difficulties in fabricating the functional materials in a single atom precision. Here, we demonstrate a non-trivial negative electromechanical response at an oxygen vacancy in paraelectric BaHfO₃ using first-principles finite electric field calculations. We find an electrostrictive response at the vacancy site in the same order of magnitude in well-known oxide materials. Surprisingly, we also discover an unusual “negative” sign of electrostriction in the oxygen vacancy. The detailed electronic structure analysis demonstrates that a unique electric field response of a localized defect electronic structure is the origin of this negative electrostriction of vacancy. The present results provide an important implication for the design of ultra-small electromechanical functions at an atomic scale. | en |
dc.language.iso | eng | - |
dc.publisher | AIP Publishing | en |
dc.rights | © 2024 Author(s). | en |
dc.rights | All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license. | en |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | - |
dc.subject | Density functional theory | en |
dc.subject | Electronic band structure | en |
dc.subject | Strain measurement | en |
dc.subject | Crystallographic defects | en |
dc.subject | Dielectric materials | en |
dc.subject | Dielectric properties | en |
dc.subject | Perovskites | en |
dc.title | Emergent local negative electrostriction induced by oxygen vacancy in BaHfO₃: Defect engineering | en |
dc.type | journal article | - |
dc.type.niitype | Journal Article | - |
dc.identifier.jtitle | Journal of Applied Physics | en |
dc.identifier.volume | 136 | - |
dc.identifier.issue | 21 | - |
dc.relation.doi | 10.1063/5.0233229 | - |
dc.textversion | publisher | - |
dc.identifier.artnum | 214101 | - |
dcterms.accessRights | open access | - |
dc.identifier.pissn | 0021-8979 | - |
dc.identifier.eissn | 1089-7550 | - |
Appears in Collections: | Journal Articles |

This item is licensed under a Creative Commons License