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- W2020715575 abstract "The charge-density-wave (CDW) structure of the monophosphate tungsten bronze ${mathrm{P}}_{4}{mathrm{W}}_{20}{mathrm{O}}_{68},$ the $m=10$ member of the ${(mathrm{P}mathrm{O}}_{2}{)}_{4}{(mathrm{W}mathrm{O}}_{3}{)}_{2m}$ series has been solved at room temperature from single-crystal x-ray-diffraction data. In agreement with previous x-ray diffuse scattering experiments, intense first-order satellite reflections at $ifmmodepmelsetextpmfi{}frac{3}{7}{mathbf{a}}^{*}$ reduced wave vectors as well as second-order satellite reflections at $ifmmodepmelsetextpmfi{}frac{1}{7}{mathbf{a}}^{*}$ were observed. The CDW structure was refined in a four-dimensional (4D) formalism and found to have the superspace group ${P2}_{1} (ensuremath{alpha}00) 0.$ The modulation, of the displacive type, involves mainly the tungsten atoms inside the different ${mathrm{WO}}_{6}$ octahedra of the ${mathrm{WO}}_{3}$-type slab. The W displacements, which are mostly oriented in the direction of the segment of 10 ${mathrm{WO}}_{6}$ octahedra building the slab, tends to be oriented in opposite directions between neighboring segments. It is suggested that for the large m members these features represent a good compromise between the CDW instability of the metallic bronzes, related to their quasi-1D electronic structure, and the incipient antiferroelectric lattice distortion of the insulating oxide ${mathrm{WO}}_{3},$ which corresponds to the limit $stackrel{ensuremath{rightarrow}}{m}ensuremath{infty}$ of this series. These structural features play a crucial role in setting the coupling between the differently oriented 1D portions of the Fermi surface required for the hidden nesting mechanism at the basis of the stabilization of a CDW ground state in the ${mathrm{ReO}}_{3}$-type metallic W and Mo bronzes and oxides." @default.
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- W2020715575 doi "https://doi.org/10.1103/physrevb.62.176" @default.
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