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Lattice dynamics of the cluster chain compounds M2Mo6Se6

Howard, CA; (2018) Lattice dynamics of the cluster chain compounds M2Mo6Se6. Physical review. B, Condensed Matter , 98 , Article 014104. 10.1103/PhysRevB.98.014104. (In press). Green open access

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The lattice dynamics of members of the M2Mo6Se6 family of materials with guest ions M = 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 Tl2Mo6Se6 show no signs of anharmonicity or absence of avoided dispersion crossings, thus ruling out previously hypothesised rattling phonon modes. The reduced mode energies for In2Mo6Se6 are identified as only partially responsible for the lower superconducting transition temperature Tc in this material when compared to Tl2Mo6Se6.

Type: Article
Title: Lattice dynamics of the cluster chain compounds M2Mo6Se6
Open access status: An open access version is available from UCL Discovery
DOI: 10.1103/PhysRevB.98.014104
Publisher version: http://doi.org/10.1103/PhysRevB.98.014104
Language: English
Additional information: This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions.
URI: http://discovery.ucl.ac.uk/id/eprint/10052158
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