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

912 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2001 · cond-mat.mtrl-sciShow all

3 papers · 2 filters

cond-mat.mtrl-sci2001★ 50 cited

Ab-initio design of perovskite alloys with predetermined properties: The case of Pb(Sc_{0.5} Nb_{0.5})O_{3}

Jorge Iniguez, L. Bellaiche

A first-principles derived approach is combined with the inverse Monte Carlo technique to determine the atomic orderings leading to prefixed properties in Pb(Sc_{0.5}Nb_{0.5})O_{3}…

cond-mat.mtrl-sci2001★ 188 cited

Electric-field induced polarization paths in PZT alloys

L. Bellaiche, A. Garcia, David Vanderbilt

Properties of Pb(Zr_{1-x}Ti_x)O_3 (PZT) for compositions x near the morphotropic phase boundary and under an electric field are simulated using an ab-initio based approach. Applyin…

cond-mat.mtrl-sci2001

Low-temperature properties of PZT solid solutions near the morphotropic phase boundary

L. Bellaiche, A. Garcia, David Vanderbilt

A first-principles-derived approach is used to study structural, piezoelectric and dielectric properties of Pb(Zr_{1-x}Ti_{x})O_{3} (PZT) solid solutions near the morphotropic phas…