Lattice dynamics of the cluster chain compounds M2Mo6Se6 (M = K, Rb, Cs, In, and Tl) - Archive ouverte HAL Access content directly
Journal Articles Physical Review B Year : 2018

Lattice dynamics of the cluster chain compounds M2Mo6Se6 (M = K, Rb, Cs, In, and Tl)

Abstract

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 hypothesized rattling phonon modes. The reduced mode energies for In2Mo6Se6 are identified as only partially responsible for the lower superconducting transition temperature T-c in this material when compared to Tl2Mo6Se6.

Dates and versions

hal-01861414 , version 1 (24-08-2018)

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Liam Gannon, Lilia Boeri, Christopher A. Howard, Patrick Gougeon, Philippe Gall, et al.. Lattice dynamics of the cluster chain compounds M2Mo6Se6 (M = K, Rb, Cs, In, and Tl). Physical Review B, 2018, 98 (1), ⟨10.1103/PhysRevB.98.014104⟩. ⟨hal-01861414⟩
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