Topological nature and the multiple Dirac cones hidden in Bismuth high-Tc superconductors
Please always quote using this URN: urn:nbn:de:bvb:20-opus-148569
- Recent theoretical studies employing density-functional theory have predicted BaBiO\(_{3}\) (when doped with electrons) and YBiO\(_{3}\) to become a topological insulator (TI) with a large topological gap (~0.7 eV). This, together with the natural stability against surface oxidation, makes the Bismuth-Oxide family of special interest for possible applications in quantum information and spintronics. The central question, we study here, is whether the hole-doped Bismuth Oxides, i.e. Ba\(_{1-X}\)K\(_{X}\)BiO\(_{3}\) andRecent theoretical studies employing density-functional theory have predicted BaBiO\(_{3}\) (when doped with electrons) and YBiO\(_{3}\) to become a topological insulator (TI) with a large topological gap (~0.7 eV). This, together with the natural stability against surface oxidation, makes the Bismuth-Oxide family of special interest for possible applications in quantum information and spintronics. The central question, we study here, is whether the hole-doped Bismuth Oxides, i.e. Ba\(_{1-X}\)K\(_{X}\)BiO\(_{3}\) and BaPb\(_{1-X}\)Bi\(_{X}\)O\(_{3}\), which are "high-Tc" bulk superconducting near 30 K, additionally display in the further vicinity of their Fermi energy E\(_{F}\) a topological gap with a Dirac-type of topological surface state. Our electronic structure calculations predict the K-doped family to emerge as a TI, with a topological gap above E\(_{F}\). Thus, these compounds can become superconductors with hole-doping and potential TIs with additional electron doping. Furthermore, we predict the Bismuth-Oxide family to contain an additional Dirac cone below E\(_{F}\) for further hole doping, which manifests these systems to be candidates for both electron-and hole-doped topological insulators.…
Author: | Gang Li, Binghai Yan, Ronny Thomale, Werner Hanke |
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URN: | urn:nbn:de:bvb:20-opus-148569 |
Document Type: | Journal article |
Faculties: | Fakultät für Physik und Astronomie / Institut für Theoretische Physik und Astrophysik |
Language: | English |
Parent Title (English): | Scientific Reports |
Year of Completion: | 2015 |
Volume: | 5 |
Issue: | 10435 |
Source: | Scientific Reports 5:10435 (2015). DOI: 10.1038/srep10435 |
DOI: | https://doi.org/10.1038/srep10435 |
Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
Tag: | BaPb\(_{1-X}\)Bi\(_{X}\)O\(_{3}\); diffraction; initio molecular dynamics; insulator; localized wannier functions; phase transitions; system; temperature; total energy calculations; wave basis set |
Release Date: | 2018/11/15 |
Licence (German): | CC BY: Creative-Commons-Lizenz: Namensnennung 4.0 International |