DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, Heung-Sik | ko |
dc.contributor.author | Han, Myung Joon | ko |
dc.date.accessioned | 2015-07-21T04:47:24Z | - |
dc.date.available | 2015-07-21T04:47:24Z | - |
dc.date.created | 2015-06-30 | - |
dc.date.created | 2015-06-30 | - |
dc.date.created | 2015-06-30 | - |
dc.date.created | 2015-06-30 | - |
dc.date.created | 2015-06-30 | - |
dc.date.issued | 2015-06 | - |
dc.identifier.citation | PHYSICAL REVIEW B, v.91, no.23, pp.235102 | - |
dc.identifier.issn | 2469-9950 | - |
dc.identifier.uri | http://hdl.handle.net/10203/199776 | - |
dc.description.abstract | Using first-principles density functional theory calculations, we investigated the effect of charge doping in a LaNiO3/SrTiO3 superlattice. The detailed analysis based on two different doping simulation methods clearly shows that the electronic and structural properties change in a systematic way, and that the orbital polarization (i.e., relative occupation of two Ni-e(g) orbitals) is reduced and the Ni to apical oxygen distance is enlarged as the number of doped electrons increases. Also, the rotation angles of the NiO6/TiO6 octahedra strongly and systematically depend on the doping. Our results not only suggest a possible way to control the orbital and structural properties by means of charge doping, but also provide useful information for understanding experiments under various doping situations such as oxygen vacancy. | - |
dc.language | English | - |
dc.publisher | AMER PHYSICAL SOC | - |
dc.title | Effect of charge doping on the electronic structure, orbital polarization, and structural distortion in nickelate superlattice | - |
dc.type | Article | - |
dc.identifier.wosid | 000355411300002 | - |
dc.identifier.scopusid | 2-s2.0-84931272101 | - |
dc.type.rims | ART | - |
dc.citation.volume | 91 | - |
dc.citation.issue | 23 | - |
dc.citation.beginningpage | 235102 | - |
dc.citation.publicationname | PHYSICAL REVIEW B | - |
dc.identifier.doi | 10.1103/PhysRevB.91.235102 | - |
dc.contributor.localauthor | Han, Myung Joon | - |
dc.contributor.nonIdAuthor | Kim, Heung-Sik | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | AUGMENTED-WAVE METHOD | - |
dc.subject.keywordPlus | OXIDE INTERFACES | - |
dc.subject.keywordPlus | SUPERCONDUCTIVITY | - |
dc.subject.keywordPlus | RECONSTRUCTION | - |
dc.subject.keywordPlus | TRANSITIONS | - |
dc.subject.keywordPlus | PEROVSKITES | - |
dc.subject.keywordPlus | COEXISTENCE | - |
dc.subject.keywordPlus | INSULATOR | - |
dc.subject.keywordPlus | GAS | - |
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