File Download
Links for fulltext
(May Require Subscription)
- Publisher Website: 10.1038/srep03246
- Scopus: eid_2-s2.0-84890170724
- PMID: 24317593
- WOS: WOS:000328068000001
Supplementary
- Citations:
- Appears in Collections:
Article: The transport properties of oxygen vacancy-related polaron-like bound state in HfOx
Title | The transport properties of oxygen vacancy-related polaron-like bound state in HfOx |
---|---|
Authors | |
Issue Date | 2013 |
Citation | Scientific Reports, 2013, v. 3, article no. 3246 How to Cite? |
Abstract | The oxygen vacancy-related polaron-like bound state migration in HfO x accounting for the observed transport properties in the high resistance state of resistive switching is investigated by the density functional theory with hybrid functional. The barrier of hopping among the threefold oxygen vacancies is strongly dependent on the direction of motion. Especially, the lowest barrier along the <001> direction is 90â€...meV, in agreement with the experimental value measured from 135 K to room temperature. This hopping mainly invokes the z-directional motion of hafnium and threefold oxygen atoms in the vicinity of the oxygen vacancy resulted from the synergized combination of coupled phonon modes. In the presence of surface, the lowest barrier of hopping between the surface oxygen vacancies is 360â€...meV along the <101> direction, where the significant surface perpendicular motion of hafnium and twofold oxygen atoms surrounding the oxygen vacancy is identified to facilitate this type of polaron-like bound state migration. Thus, the migration on the surfaces could be more important at the high temperature. |
Persistent Identifier | http://hdl.handle.net/10722/286803 |
PubMed Central ID | |
ISI Accession Number ID |
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Wang, Zhongrui | - |
dc.contributor.author | Yu, Hongyu | - |
dc.contributor.author | Su, Haibin | - |
dc.date.accessioned | 2020-09-07T11:45:42Z | - |
dc.date.available | 2020-09-07T11:45:42Z | - |
dc.date.issued | 2013 | - |
dc.identifier.citation | Scientific Reports, 2013, v. 3, article no. 3246 | - |
dc.identifier.uri | http://hdl.handle.net/10722/286803 | - |
dc.description.abstract | The oxygen vacancy-related polaron-like bound state migration in HfO x accounting for the observed transport properties in the high resistance state of resistive switching is investigated by the density functional theory with hybrid functional. The barrier of hopping among the threefold oxygen vacancies is strongly dependent on the direction of motion. Especially, the lowest barrier along the <001> direction is 90â€...meV, in agreement with the experimental value measured from 135 K to room temperature. This hopping mainly invokes the z-directional motion of hafnium and threefold oxygen atoms in the vicinity of the oxygen vacancy resulted from the synergized combination of coupled phonon modes. In the presence of surface, the lowest barrier of hopping between the surface oxygen vacancies is 360â€...meV along the <101> direction, where the significant surface perpendicular motion of hafnium and twofold oxygen atoms surrounding the oxygen vacancy is identified to facilitate this type of polaron-like bound state migration. Thus, the migration on the surfaces could be more important at the high temperature. | - |
dc.language | eng | - |
dc.relation.ispartof | Scientific Reports | - |
dc.rights | This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. | - |
dc.title | The transport properties of oxygen vacancy-related polaron-like bound state in HfOx | - |
dc.type | Article | - |
dc.description.nature | published_or_final_version | - |
dc.identifier.doi | 10.1038/srep03246 | - |
dc.identifier.pmid | 24317593 | - |
dc.identifier.pmcid | PMC3856482 | - |
dc.identifier.scopus | eid_2-s2.0-84890170724 | - |
dc.identifier.volume | 3 | - |
dc.identifier.spage | article no. 3246 | - |
dc.identifier.epage | article no. 3246 | - |
dc.identifier.eissn | 2045-2322 | - |
dc.identifier.isi | WOS:000328068000001 | - |
dc.identifier.issnl | 2045-2322 | - |