Zhang, Zeying ; Zhang, Run-Wu ; Li, Xinru ; Koepernik, Klaus ; Yao, Yugui ; Zhang, Hongbin (2018)
High-Throughput Screening and Automated Processing toward Novel Topological Insulators.
In: The Journal of Physical Chemistry Letters, 9 (21)
doi: 10.1021/acs.jpclett.8b02800
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
The bottleneck of current studies on topological insulators is to identify better materials that can be fabricated into devices more feasibly. To search for novel topological materials, we developed a high-throughput framework that can be utilized to screen for candidates with known crystal structures and further showcase topological properties based on automated construction of Wannier functions. We have applied our methods to ternary compounds of Bi, Sb, and nitrides as a representative sample. The topological properties are characterized by the surface states, verified by auxiliary evaluation of the Z2 topological invariant. We successfully identified seven topological insulators. Our work paves the way to design novel topological materials.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2018 |
| Autor(en): | Zhang, Zeying ; Zhang, Run-Wu ; Li, Xinru ; Koepernik, Klaus ; Yao, Yugui ; Zhang, Hongbin |
| Art des Eintrags: | Bibliographie |
| Titel: | High-Throughput Screening and Automated Processing toward Novel Topological Insulators |
| Sprache: | Englisch |
| Publikationsjahr: | 1 November 2018 |
| Verlag: | American Chemical Society |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | The Journal of Physical Chemistry Letters |
| Jahrgang/Volume einer Zeitschrift: | 9 |
| (Heft-)Nummer: | 21 |
| DOI: | 10.1021/acs.jpclett.8b02800 |
| URL / URN: | https://doi.org/10.1021/acs.jpclett.8b02800 |
| Kurzbeschreibung (Abstract): | The bottleneck of current studies on topological insulators is to identify better materials that can be fabricated into devices more feasibly. To search for novel topological materials, we developed a high-throughput framework that can be utilized to screen for candidates with known crystal structures and further showcase topological properties based on automated construction of Wannier functions. We have applied our methods to ternary compounds of Bi, Sb, and nitrides as a representative sample. The topological properties are characterized by the surface states, verified by auxiliary evaluation of the Z2 topological invariant. We successfully identified seven topological insulators. Our work paves the way to design novel topological materials. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Theorie magnetischer Materialien |
| Hinterlegungsdatum: | 12 Dez 2018 10:24 |
| Letzte Änderung: | 12 Dez 2018 10:24 |
| PPN: | |
| Sponsoren: | The authors acknowledge support from the National Key R&D Program of China (Grant No. 2016YFA0300600), the NSF of China (Grants Nos. 11734003, 11574029),, he Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB30000000),, the DFG-SPP 1666 program,, the LOEWE project RESPONSE funded by the Ministry of Higher Education, Research and the Arts (HMWK) of the Hessen state. |
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