There are no files associated with this item.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.citation.number | 20 | - |
dc.citation.startPage | 204703 | - |
dc.citation.title | JOURNAL OF CHEMICAL PHYSICS | - |
dc.citation.volume | 132 | - |
dc.contributor.author | Chen, Qian | - |
dc.contributor.author | Wang, Jinlan | - |
dc.contributor.author | Zhu, Liyan | - |
dc.contributor.author | Wang, Shudong | - |
dc.contributor.author | Ding, Feng | - |
dc.date.accessioned | 2023-12-22T07:08:44Z | - |
dc.date.available | 2023-12-22T07:08:44Z | - |
dc.date.created | 2020-03-04 | - |
dc.date.issued | 2010-05 | - |
dc.description.abstract | We systematically explore the stability, bonding characteristics, and electronic and magnetic properties of two-dimensional (2D) few zinc oxide layers (few-ZnOLs) with or without fluorination by using density functional theory approach. The pristine few-ZnOLs favor stable planar hexagonal structures, which stem from their unique bonding characteristics: The intralayer Zn-O interaction is dominated by covalent bonding while the interaction between layers is weak ionic bonding. Furthermore, we demonstrate that fluorination from one side turns the planar few-ZnOLs back to the wurtzitelike corrugated structure, which enhances the stability of the 2D ZnO films. The fluorinated few-ZnOLs are ferromagnets with magnetic moments as high as 0.84, 0.87, 0.89, and 0.72 mu(B) per unit cell for the number of layers of N=1, 2, 3, and 4, respectively. Most interestingly, the fluorination can also turn few-ZnOLs from semiconductor into half metallicity with a half-metal gap up to 0.56 eV. These excellent electronic and magnetic properties may open 2D ZnO based materials great opportunity in future spintronics. | - |
dc.identifier.bibliographicCitation | JOURNAL OF CHEMICAL PHYSICS, v.132, no.20, pp.204703 | - |
dc.identifier.doi | 10.1063/1.3442908 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.scopusid | 2-s2.0-77953059118 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/31393 | - |
dc.identifier.url | https://aip.scitation.org/doi/10.1063/1.3442908 | - |
dc.identifier.wosid | 000278183100026 | - |
dc.language | 영어 | - |
dc.publisher | AMER INST PHYSICS | - |
dc.title | Fluorination induced half metallicity in two-dimensional few zinc oxide layers | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical; Physics, Atomic, Molecular & Chemical | - |
dc.relation.journalResearchArea | Chemistry; Physics | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | bonds (chemical) | - |
dc.subject.keywordAuthor | density functional theory | - |
dc.subject.keywordAuthor | ferromagnetic materials | - |
dc.subject.keywordAuthor | II-VI semiconductors | - |
dc.subject.keywordAuthor | magnetic moments | - |
dc.subject.keywordAuthor | magnetoelectronics | - |
dc.subject.keywordAuthor | wide band gap semiconductors | - |
dc.subject.keywordAuthor | zinc compounds | - |
dc.subject.keywordPlus | GRAPHENE NANORIBBONS | - |
dc.subject.keywordPlus | MAGNETIC-PROPERTIES | - |
dc.subject.keywordPlus | THIN-FILMS | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | ZNO | - |
dc.subject.keywordPlus | HYDROGENATION | - |
dc.subject.keywordPlus | TRANSITION | - |
dc.subject.keywordPlus | DEVICES | - |
dc.subject.keywordPlus | ENERGY | - |
Items in Repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Tel : 052-217-1404 / Email : scholarworks@unist.ac.kr
Copyright (c) 2023 by UNIST LIBRARY. All rights reserved.
ScholarWorks@UNIST was established as an OAK Project for the National Library of Korea.