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In this work we confirm the interband nesting mechanism for the Charge Density Wave in the blue bronze K_0.3MoO₃ 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.