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

912 citations

Showing 2003Show all

5 papers · 1 filter

cond-mat2003★ 66 cited

High pressure phases in highly piezoelectric Pb(Zr0.52Ti0.48)O3

A. Sani, B. Noheda, I. A. Kornev +3

Two novel room-temperature phase transitions are observed, via synchrotron x-ray diffraction and Raman spectroscopy, in the Pb(Zr0.52Ti0.48)O3 alloy under hydrostatic pressures up…

cond-mat.mtrl-sci2003★ 27 cited

Effects of atomic short-range order on the properties of perovskite alloys in their morphotropic phase boundary

A. M. George, Jorge Iniguez, L. Bellaiche

The effects of atomic short-range order on the properties of Pb(Zr_{1-x}Ti_x)O_3 alloy in its morphotropic phase boundary (MPB) are predicted by combining first-principles-based me…

physics.chem-ph2003★ 4 cited

Reference-State One-Particle Density-Matrix Theory

James P. Finley

A density-matrix formalism is developed based on the one-particle density-matrix of a single-determinantal reference-state. The v-representable problem does not appear in the propo…

math.CV2003★ 6 cited

Introductory Clifford Analysis

John Ryan

This paper is an elaboration of an introductory talk given by the author at a workshop on Clifford algebras at Tennessee Technical University, in May 2002. We give an introduction…

cond-mat.mtrl-sci2003★ 179 cited

First-principles study of (BiScO3){1-x}-(PbTiO3){x} piezoelectric alloys

Jorge Iniguez, David Vanderbilt, L. Bellaiche

We report a first-principles study of a class of (BiScO3)_{1-x}-(PbTiO3)_x (BS-PT) alloys recently proposed by Eitel et al. as promising materials for piezoelectric actuator applic…