BROWSE

Related Scientist

lee,sunghoon's photo.

lee,sunghoon
원자제어저차원전자계연구단
more info

ITEM VIEW & DOWNLOAD

Atomic-scale origin of piezoelectricity in wurtzite ZnO

DC Field Value Language
dc.contributor.authorJung-Hoon Lee-
dc.contributor.authorWoo-Jin Lee-
dc.contributor.authorSung-Hoon Lee-
dc.contributor.authorSeong Min Kim-
dc.contributor.authorSungjin Kim-
dc.contributor.authorHyun Myung Jang-
dc.date.available2015-06-29T08:21:34Z-
dc.date.created2015-04-06-
dc.date.issued2015-03-
dc.identifier.issn1463-9076-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/1691-
dc.description.abstractZnO has been extensively studied by virtue of its remarkably high piezoelectric responses, especially in nanowire forms. Currently, the high piezoelectricity of wurtzite ZnO is understood in terms of the covalent-bonding interaction between Zn 3d and O 2p orbitals. However, the Zn 3d orbitals are not capable of forming hybridized orbitals with the O 2pz orbitals since the Zn ion is characterized by fully filled non-interacting 3d orbitals. To resolve this puzzling problem, we have investigated the atomic-scale origin of piezoelectricity by exploiting density-functional theory calculations. On the basis of the computed orbital-resolved density of states and the band structure over the Γ-M first Brillouin zone, we propose an intriguing bonding mechanism that accounts for the observed high piezoelectricity-intra-atomic 3dz2-4pz orbital self-mixing of Zn, followed by asymmetric hybridization between the Zn 3dz2-4pz self-mixed orbital and the O 2pz orbital along the polar c-axis of the wurtzite ZnO. This journal is © the Owner Societies-
dc.description.uri1-
dc.language영어-
dc.publisherROYAL SOC CHEMISTRY-
dc.titleAtomic-scale origin of piezoelectricity in wurtzite ZnO-
dc.typeArticle-
dc.type.rimsART-
dc.identifier.wosid000351437500031-
dc.identifier.scopusid2-s2.0-84924871720-
dc.identifier.rimsid19188ko
dc.date.tcdate2018-10-01-
dc.contributor.affiliatedAuthorSung-Hoon Lee-
dc.identifier.doi10.1039/c4cp06094f-
dc.identifier.bibliographicCitationPHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.17, no.12, pp.7857 - 7863-
dc.citation.titlePHYSICAL CHEMISTRY CHEMICAL PHYSICS-
dc.citation.volume17-
dc.citation.number12-
dc.citation.startPage7857-
dc.citation.endPage7863-
dc.date.scptcdate2018-10-01-
dc.description.wostc3-
dc.description.scptc3-
dc.description.journalClass1-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.subject.keywordPlusFUNCTIONAL PERTURBATION-THEORY-
dc.subject.keywordPlusBRILLOUIN-ZONE INTEGRATIONS-
dc.subject.keywordPlusSINGLE-CRYSTAL NANORINGS-
dc.subject.keywordPlusAUGMENTED-WAVE METHOD-
dc.subject.keywordPlusAB-INITIO-
dc.subject.keywordPlusELECTROMECHANICAL RESPONSE-
dc.subject.keywordPlusSPONTANEOUS POLARIZATION-
dc.subject.keywordPlusNANOBELTS-
dc.subject.keywordPlus1ST-PRINCIPLES-
dc.subject.keywordPlusCONSTANTS-
Appears in Collections:
Center for Artificial Low Dimensional Electronic Systems(원자제어 저차원 전자계 연구단) > 1. Journal Papers (저널논문)
Files in This Item:
c4cp06094f.pdfDownload

qrcode

  • facebook

    twitter

  • Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
해당 아이템을 이메일로 공유하기 원하시면 인증을 거치시기 바랍니다.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

Browse