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20022009
most citedPhase diagram of Pb(Zr,Ti)O3 solid solutions from first principles

215 citations

Showing 2006Show all

5 papers · 1 filter

cond-mat.mtrl-sci200641 cited

Second harmonic generation and X-ray diffraction studies of pretransitional region in relaxor K(1-x) LixTaO3

Hiroko Yokota, Yoshiaki Uesu, Charlotte Malibert +1

Optical second-harmonic-generation(SHG) observations and precise X-ray diffraction experiments have been performed on quantum paraelectrics KTaO3 (KTO) and relaxor K(1-x)LixTaO3 wi…

cond-mat.mtrl-sci2006215 cited

Phase diagram of Pb(Zr,Ti)O3 solid solutions from first principles

Igor A. Kornev, L. Bellaiche, P. -E. Janolin +2

A first-principles-derived scheme, that incorporates ferroelectric and antiferrodistortive degrees of freedom, is developed to study finite-temperature properties of PbZr1-xTixO3 s…

physics.chem-ph20061 cited

Closed-form expressions for correlated density matrices: application to dispersive interactions and example of (He)2

Sebastien Ragot, Pierre J. Becker

Empirically correlated density matrices of N-electron systems are investigated. Exact closed-form expressions are derived for the one- and two-electron reduced density matrices fro…

physics.atom-ph200628 cited

Exact Kohn-Sham versus Hartree-Fock in momentum-space: examples of two-fermion systems

Sebastien Ragot

The question of how density functional theory (DFT) compares with Hartree-Fock (HF) for the computation of momentum-space properties is addressed in relation to systems for which (…

math.PR2006

The Multiparameter Fractional Brownian Motion

Erick Herbin, Ely Merzbach

We define and study the multiparameter fractional Brownian motion. This process is a generalization of both the classical fractional Brownian motion and the multiparameter Brownian…