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Charge Density Waves and the Hidden Nesting of Purple Bronze K0.9Mo6O17

TitleCharge Density Waves and the Hidden Nesting of Purple Bronze K0.9Mo6O17
Publication TypeJournal Article
Year of Publication2017
AuthorsSu, Lei, Hsu Chuang-Han, Lin Hsin, and Pereira Vitor M.
JournalPhys. Rev. Lett.
Volume118
Date Published06/2017
ISSN0031-9007
Keywordsconductor, image, instability, kmo6o17, localized wannier functions, potassium, systems
Abstract

We introduce the first multiorbital effective tight-binding model to describe the effect of electronelectron interactions in this system. Upon fixing all the effective hopping parameters in the normal state against an ab initio band structure, and with only the overall scale of the interactions as the sole adjustable parameter, we find that a self-consistent Hartree- Fock solution reproduces extremely well the experimental behavior of the charge density wave (CDW) order parameter in the full range 0 {\textless} T {\textless} T-c, as well as the precise reciprocal space locations of the partial gap opening and Fermi arc development. The interaction strengths extracted from fitting to the experimental CDW gap are consistent with those derived from an independent Stoner-type analysis.

DOI10.1103/PhysRevLett.118.257601

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