Lattice dynamics of the cluster chain compounds M2Mo6Se6(M=K,Rb,Cs,In,and Tl)
| Autor: | Liam Gannon, Christopher A. Howard, Lilia Boeri, Alexander Paul Petrović, Philippe Gall, Moritz Hoesch, Patrick Gougeon, Michel Potel, Diala Salloum |
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| Rok vydání: | 2018 |
| Předmět: |
Physics
Phonon Scattering Anharmonicity 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Ion symbols.namesake Crystallography Chain (algebraic topology) Ab initio quantum chemistry methods 0103 physical sciences symbols Cluster (physics) 010306 general physics 0210 nano-technology Raman spectroscopy |
| Zdroj: | Physical Review B. 98 |
| ISSN: | 2469-9969 2469-9950 |
| DOI: | 10.1103/physrevb.98.014104 |
| Popis: | The lattice dynamics of members of the ${M}_{2}{\mathrm{Mo}}_{6}{\mathrm{Se}}_{6}$ family of materials with guest ions $M=\mathrm{K}$, Rb, Cs, In, and Tl has been studied using inelastic x-ray scattering and Raman spectroscopy at room temperature, as well as by ab initio calculations. We find a good match between calculations and experiment, both for structure factors (eigenvectors) and for the calculated phonon frequencies. The observed lattice dynamics for ${\mathrm{Tl}}_{2}{\mathrm{Mo}}_{6}{\mathrm{Se}}_{6}$ show no signs of anharmonicity or absence of avoided dispersion crossings, thus ruling out previously hypothesized rattling phonon modes. The reduced mode energies for ${\mathrm{In}}_{2}{\mathrm{Mo}}_{6}{\mathrm{Se}}_{6}$ are identified as only partially responsible for the lower superconducting transition temperature ${T}_{c}$ in this material when compared to ${\mathrm{Tl}}_{2}{\mathrm{Mo}}_{6}{\mathrm{Se}}_{6}$. |
| Databáze: | OpenAIRE |
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