Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevB.72.045327
DC FieldValue
dc.titleFirst-principles study of ZrO2 Si interfaces: Energetics and band offsets
dc.contributor.authorDong, Y.F.
dc.contributor.authorFeng, Y.P.
dc.contributor.authorWang, S.J.
dc.contributor.authorHuan, A.C.H.
dc.date.accessioned2014-10-16T09:26:00Z
dc.date.available2014-10-16T09:26:00Z
dc.date.issued2005-07-15
dc.identifier.citationDong, Y.F., Feng, Y.P., Wang, S.J., Huan, A.C.H. (2005-07-15). First-principles study of ZrO2 Si interfaces: Energetics and band offsets. Physical Review B - Condensed Matter and Materials Physics 72 (4) : -. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.72.045327
dc.identifier.issn10980121
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/96658
dc.description.abstractFirst-principles calculations for ZrO2 Si interfaces are presented. Various model interfaces satisfying the general bonding rules were considered. The interface formation energies were evaluated as a function of oxygen potential, which shows the possibility of atomic control of the interface structure by altering the chemical environment. The strain mode and interface structure effects on band offset were investigated. The band offsets were found strongly dependent on the strain modes and interface structures. These results suggest that in epitaxial growth of ZrO2 on Si for gate dielectric applications, the chemical environment should be well controlled to get reproducible band offsets. © 2005 The American Physical Society.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1103/PhysRevB.72.045327
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.doi10.1103/PhysRevB.72.045327
dc.description.sourcetitlePhysical Review B - Condensed Matter and Materials Physics
dc.description.volume72
dc.description.issue4
dc.description.page-
dc.description.codenPRBMD
dc.identifier.isiut000230890300110
Appears in Collections:Staff Publications

Show simple item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

56
checked on Nov 25, 2020

WEB OF SCIENCETM
Citations

49
checked on Nov 25, 2020

Page view(s)

50
checked on Nov 22, 2020

Google ScholarTM

Check

Altmetric


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