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- W2026207622 abstract "Extended x-ray absorption fine-structure studies have been performed at the Zn $K$ and Cd $K$ edges for a series of solid solutions of wurtzite ${mathrm{Zn}}_{1ensuremath{-}x}{mathrm{Cd}}_{x}$S samples with $x$ = 0.0, 0.1, 0.25, 0.5, 0.75, and 1.0, where the lattice parameter as a function of $x$ evolves according to the well-known Vegard's law. In conjunction with extensive, large-scale first-principles electronic structure calculations with full geometry optimizations, these results establish that the percentage variation in the nearest-neighbor bond distances are lower by nearly an order of magnitude compared to what would be expected on the basis of lattice parameter variation, seriously undermining the chemical pressure concept. With experimental results that allow us to probe up to the third coordination shell distances, we provide a direct description of how the local structure, apparently inconsistent with the global structure, evolves very rapidly with interatomic distances to become consistent with it. We show that the basic features of this structural evolution with the composition can be visualized with nearly invariant ${mathrm{Zn-S}}_{4}$ and ${mathrm{Cd-S}}_{4}$ tetrahedral units retaining their structural integrity, while the tilts between these tetrahedral building blocks change with composition to conform to the changing lattice parameters according to the Vegard's law within a relatively short length scale. These results underline the limits of applicability of the chemical pressure concept that has been a favored tool of experimentalists to control physical properties of a large variety of condensed matter systems." @default.
- W2026207622 created "2016-06-24" @default.
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- W2026207622 date "2014-06-26" @default.
- W2026207622 modified "2023-10-16" @default.
- W2026207622 title "Microscopic description of the evolution of the local structure and an evaluation of the chemical pressure concept in a solid solution" @default.
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- W2026207622 doi "https://doi.org/10.1103/physrevb.89.224105" @default.
- W2026207622 hasPublicationYear "2014" @default.
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