DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, Sung-Hyun | ko |
dc.contributor.author | Chang, Kee-Joo | ko |
dc.contributor.author | Park, Ji-Sang | ko |
dc.date.accessioned | 2015-04-07T04:27:34Z | - |
dc.date.available | 2015-04-07T04:27:34Z | - |
dc.date.created | 2014-10-27 | - |
dc.date.created | 2014-10-27 | - |
dc.date.created | 2014-10-27 | - |
dc.date.issued | 2014-08 | - |
dc.identifier.citation | PHYSICAL REVIEW B, v.90, no.8, pp.085435 - 085435 | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.uri | http://hdl.handle.net/10203/195167 | - |
dc.description.abstract | We propose a finite-size correction scheme for the formation energy of charged defects and impurities in one-dimensional systems within density functional theory. The energy correction in a supercell geometry is obtained by solving the Poisson equation in a continuum model which is described by an anisotropic permittivity tensor, with the defect charge distribution derived from first-principles calculations. We implement our scheme to study impurities and dangling bonds in silicon nanowires and demonstrate that the formation energy of charged defects rapidly converges with the supercell size. | - |
dc.language | English | - |
dc.publisher | AMER PHYSICAL SOC | - |
dc.title | Finite-size supercell correction scheme for charged defects in one-dimensional systems | - |
dc.type | Article | - |
dc.identifier.wosid | 000345635700006 | - |
dc.identifier.scopusid | 2-s2.0-84940313068 | - |
dc.type.rims | ART | - |
dc.citation.volume | 90 | - |
dc.citation.issue | 8 | - |
dc.citation.beginningpage | 085435 | - |
dc.citation.endingpage | 085435 | - |
dc.citation.publicationname | PHYSICAL REVIEW B | - |
dc.identifier.doi | 10.1103/PhysRevB.90.085435 | - |
dc.contributor.localauthor | Chang, Kee-Joo | - |
dc.contributor.nonIdAuthor | Park, Ji-Sang | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | AUGMENTED-WAVE METHOD | - |
dc.subject.keywordPlus | SILICON NANOWIRES | - |
dc.subject.keywordPlus | STABILITY | - |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.