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

Liam Gannon; Lilia Boeri; Christopher A. Howard; Patrick Gougeon; Philippe Gall; Michel Potel; Diala Salloum; Alexander P. Petrovic; Moritz Hoesch

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

Liam Gannon ¹ Lilia Boeri ^{2, 3} Christopher A. Howard ⁴ Patrick Gougeon ⁵ Philippe Gall ⁵ Michel Potel ⁵ Diala Salloum ^{5, 6} Alexander P. Petrovic ^{7, 8} Moritz Hoesch ⁹

1 University of Oxford [Oxford]

2 Università degli Studi di Roma "La Sapienza" [Rome]

3 CNR - Consiglio Nazionale delle Ricerche [Roma]

4 UCL - University College of London [London]

5 ISCR - Institut des Sciences Chimiques de Rennes

6 Lebanese University [Beirut]

7 University of Geneva [Switzerland]

8 NTU - Nanyang Technological University

9 DESY - Deutsches Elektronen-Synchrotron [Hamburg]

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.

Document type :

Journal articles

Domain :

Chemical Sciences

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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01861414
Contributor : Laurent Jonchère <>
Submitted on : Friday, August 24, 2018 - 2:29:54 PM
Last modification on : Wednesday, November 13, 2019 - 11:50:04 AM

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

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

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