DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kang, CJ | - |
dc.contributor.author | Min, BI | - |
dc.date.accessioned | 2017-07-19T12:37:35Z | - |
dc.date.available | 2017-07-19T12:37:35Z | - |
dc.date.created | 2016-02-12 | - |
dc.date.issued | 2016-01-13 | - |
dc.identifier.issn | 2469-9950 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/36135 | - |
dc.description.abstract | We have investigated the lattice instability and the topological property of the electronic structure in PbPo in comparison with other IV-VI semiconductors, SnTe and PbTe. In the conventional exchange-correlation schemes of the density functional theory, the fcc structure of PbPo tends to be unstable in the presence of spin-orbit coupling (SOC) under [111] distortion so as to have a ferroelectric instability. This feature is revealed in the calculated phonon dispersion of PbPo by the phonon softening instability at k = Gamma. But, in the modified Becke-Johnson (mBJ) potential scheme, we have shown that the tendency for SOC-driven ferroelectric instability is suppressed, and the fcc structure becomes stabilized. We have demonstrated that PbPo is a semiconductor having a band inversion at k = L, which leads to a topological crystalline insulator (TCI) phase of PbPo, and the TCI and the ferroelectric states coexist for moderate [111] distortions. | - |
dc.language | English | - |
dc.publisher | AMER PHYSICAL SOC | - |
dc.relation.isPartOf | PHYSICAL REVIEW B | - |
dc.title | Ferroelectric instability and topological crystalline insulating nature in PbPo | - |
dc.type | Article | - |
dc.identifier.doi | 10.1103/PHYSREVB.93.041104 | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | PHYSICAL REVIEW B, v.93, no.4, pp.41104 - 41104 | - |
dc.identifier.wosid | 000368296300001 | - |
dc.date.tcdate | 2019-02-01 | - |
dc.citation.endPage | 41104 | - |
dc.citation.number | 4 | - |
dc.citation.startPage | 41104 | - |
dc.citation.title | PHYSICAL REVIEW B | - |
dc.citation.volume | 93 | - |
dc.contributor.affiliatedAuthor | Min, BI | - |
dc.identifier.scopusid | 2-s2.0-84955481218 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 2 | - |
dc.description.scptc | 3 | * |
dc.date.scptcdate | 2018-05-121 | * |
dc.description.isOpenAccess | N | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | TOTAL-ENERGY CALCULATIONS | - |
dc.subject.keywordPlus | BAND-STRUCTURE | - |
dc.subject.keywordPlus | PHASE-TRANSITION | - |
dc.subject.keywordPlus | HIGH-PRESSURE | - |
dc.subject.keywordPlus | GETE | - |
dc.subject.keywordPlus | SNTE | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Physics, Applied | - |
dc.relation.journalWebOfScienceCategory | Physics, Condensed Matter | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalResearchArea | Physics | - |
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