Evolution of the CDW gap in Valence Skipper RbTlX3 (X=F,Cl,Br): A first-principle study
In: Journal of Physics: Conference Series, Jg. 871 (2017-07-01), S. 012030-12030
Online
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Zugriff:
In the present study we investigated the electronic structure of the valence skipping compound RbTlX3 (X=F,Cl,Br) from first principles. Combined with structural optimization, we confirmed that the charge-density-wave (CDW) is formed in all of these three compounds, and the Tl atoms in two different sites take the valence Tl1+ and Tl3+. We investigated the evolution of the CDW gap as a function of the volume and the atomic position, and found that this CDW gap can be collapsed by applying pressure with only few GPa for RbTlBr3. In this metallic phase a large charge-fluctuation and a large electron-phonon interaction is expected.
| Titel: |
Evolution of the CDW gap in Valence Skipper RbTlX3 (X=F,Cl,Br): A first-principle study
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| Autor/in / Beteiligte Person: | Yanagisawa, Takashi ; Kawashima, Kenji ; Hase, Izumi |
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| Zeitschrift: | Journal of Physics: Conference Series, Jg. 871 (2017-07-01), S. 012030-12030 |
| Veröffentlichung: | IOP Publishing, 2017 |
| Medientyp: | unknown |
| ISSN: | 1742-6596 (print) ; 1742-6588 (print) |
| DOI: | 10.1088/1742-6596/871/1/012030 |
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