Perovskite ThTaN3: A large-thermopower topological crystalline insulator
DC Field | Value | Language |
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dc.contributor.author | Jung, Myung-Chul | - |
dc.contributor.author | Lee, Kwan-Woo | - |
dc.contributor.author | Pickett, Warren E. | - |
dc.date.accessioned | 2021-09-02T13:50:13Z | - |
dc.date.available | 2021-09-02T13:50:13Z | - |
dc.date.created | 2021-06-16 | - |
dc.date.issued | 2018-03-08 | - |
dc.identifier.issn | 2469-9950 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/76746 | - |
dc.description.abstract | ThTaN3, a rare cubic perovskite nitride semiconductor, has been studied using ab initio methods. Spin-orbit coupling (SOC) results in band inversion and a band gap of 150 meV at the zone center. Despite trivial Z(2) indices, two pairs of spin-polarized surface bands cross the gap near the zone center, indicating that this system is a topological crystalline insulator with the mirror Chern number of |C-m| = 2 protected by the mirror and C-4 rotational symmetries. Additionally, SOC doubles the Seebeck coefficient, leading to a maximum of similar to 400 mu V/K at 150Kfor carrier-doping levels of several 10(17)/cm(3). ThTaN3 combines excellent bulk thermopower with parallel conduction through topological surface states that may point toward newpossibilities for platforms for engineering devices with larger figures of merit. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | AMER PHYSICAL SOC | - |
dc.subject | CONTAINING NITRIDE PEROVSKITE | - |
dc.subject | ELECTRONIC-STRUCTURE | - |
dc.subject | PREDICTION | - |
dc.title | Perovskite ThTaN3: A large-thermopower topological crystalline insulator | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Lee, Kwan-Woo | - |
dc.identifier.doi | 10.1103/PhysRevB.97.121104 | - |
dc.identifier.scopusid | 2-s2.0-85043992245 | - |
dc.identifier.wosid | 000426902400001 | - |
dc.identifier.bibliographicCitation | PHYSICAL REVIEW B, v.97, no.12 | - |
dc.relation.isPartOf | PHYSICAL REVIEW B | - |
dc.citation.title | PHYSICAL REVIEW B | - |
dc.citation.volume | 97 | - |
dc.citation.number | 12 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Physics, Applied | - |
dc.relation.journalWebOfScienceCategory | Physics, Condensed Matter | - |
dc.subject.keywordPlus | CONTAINING NITRIDE PEROVSKITE | - |
dc.subject.keywordPlus | ELECTRONIC-STRUCTURE | - |
dc.subject.keywordPlus | PREDICTION | - |
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