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

912 citations

Showing 2001Show all

5 papers · 1 filter

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}…

math.CA2001

An inverse problem for the double layer potential

P. Ebenfelt, D. Khavinson, H. S. Shapiro

We consider an inverse problem for the double layer potential which can be formulated, somewhat loosely, as follows. For which smoothly bounded domains D in Euclidian space does th…

quant-ph2001★ 30 cited

Teleportation of rotations and receiver-encoded secret sharing

Chui-Ping Yang, Julio Gea-Banacloche

We show how an arbitrary qubit rotation can be teleported, albeit probabilistically, using 1 e-bit of entanglement and one classical bit. We use this to present a scheme for implem…

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…