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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2007449505> ?p ?o ?g. }

• W2007449505 abstract "Recent studies of zirconium tungstate, ${mathrm{ZrW}}_{2}{mathrm{O}}_{8},$ show an isotropic negative thermal expansion (NTE) over a wide temperature range. It has been proposed that the low-energy phonon vibrational modes, observed in both specific heat and phonon density-of-states measurements, are responsible for this unusual NTE. We have carried out x-ray-absorption fine-structure (XAFS) experiments at both the W ${L}_{mathrm{III}}$ edge and Zr K edge to study the detailed local structure in ${mathrm{ZrW}}_{2}{mathrm{O}}_{8}.$ Our XAFS results show a very small temperature dependence of the broadening parameter, $ensuremath{sigma},$ for the W-Zr atom pair and the W-O-Zr linkage; consequently, the displacements of the W, O, and Zr atoms must be correlated. The data show a much larger temperature dependence of $ensuremath{sigma}$ for the nearest ${mathrm{W}}_{1}ensuremath{-}{mathrm{W}}_{2}$ pair as well as for the nearest Zr-Zr pair. These combined results indicate that it is the correlated motion of a ${mathrm{WO}}_{4}$ tetrahedron and its three nearest ${mathrm{ZrO}}_{6}$ octahedra that leads to the NTE effect in this material instead of primarily transverse vibrations of the middle O atom in the W-O-Zr linkage. The data for both W-W and Zr-Zr atom pairs also indicate a hardening of the effective spring constant near 100 K, which is consistent with the shift of the lowest mode with T in the phonon density of states. A simple model is developed to explain the NTE in terms of the local structure results; it also provides a natural explanation for the lack of a soft-mode phase transition." @default.
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• W2007449505 date "2003-07-11" @default.
• W2007449505 modified "2023-09-27" @default.
• W2007449505 title "Correlated atomic motions in the negative thermal expansion material<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>ZrW</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>O</mml:mi></mml:mrow><mml:mrow><mml:mn>8</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>:</mml:mo></mml:math>A local structure study" @default.
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• W2007449505 doi "https://doi.org/10.1103/physrevb.68.014303" @default.
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