Evidence for the weak coupling scenario of the Peierls transition in the blue bronze K<sub>0.3</sub>MoO<sub>3</sub>

ORAL

Abstract

In this work we confirm the interband nesting mechanism for the Charge Density Wave in the blue bronze K0.3MoO3 by a direct calculation of the Lindhard function using the DFT band structure [1]. Furthermore, our calculation of the thermal dependence of the Lindhard function allows to quantitatively account for the standard weak coupling scenario of the Peierls transition. To the best of our knowledge, this type of validation of the weak coupling scenario based on actual data for a real material has never been reported in the literature [2].
[1] J. L. Mozos, P. Ordejón, and E. Canadell, Phys. Rev. B 65, 233105 (2002).
[2] B. Guster, M. Pruneda, P. Ordejón, E. Canadell and J.P. Pouget, to be published.

*Work supported by European Union H2020-EINFRA-5-2015 MaX Center of Excellence (Grant No.824143) and Spanish MINECO (Granta No. FIS2015-64886-C5-3-P and FIS2015-64886-C5-4-P).Funding by the Severo Ochoa Centers of Excellence Program under Grants SEV-2013-0295 and SEV-2015-0496, and by Generalitat de Catalunya (Grant 2017SGR1506) is also acknowledged. is acknowledged. ICN2 is funded by the CERCA Program/Generalitat de Catalunya.

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Presenters

  • Pablo Ordejon

    • Catalan Institute of Nanoscience and Nanotechnology

Authors

  • Bogdan Guster

    • Catalan Institute of Nanoscience and Nanotechnology

  • Miguel Pruneda

    • Theory & Simulation Group, Institut Catala de Nanociencia i Nanotecnologia
    • Catalan Institute of Nanoscience and Nanotechnology

  • Pablo Ordejon

    • Catalan Institute of Nanoscience and Nanotechnology

  • Enric Canadell

    • ICMAB-CSIC

  • Jean-Paul Pouget

    • Laboratoire de Physique des Solides, Université de Paris-Sud