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19952026
most citedThe virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites

912 citations

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Showing 1999 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci1999★ 912 cited

The virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites

L. Bellaiche, David Vanderbilt

We present an approach to the implementation of the virtual crystal approximation (VCA) for the study of properties of solid solutions in the context of density-functional methods.…