Calculation of the atomic electric dipole moment of Pb²⁺ induced by nuclear Schiff moment

We report the atomic electric dipole moment induced by the P, T violating interactions in the nuclear/sub-nuclear level, for ²⁰⁷Pb²⁺ and ²⁰⁷Pb, owing to the recent interest in the ferroelectric crystal PbTiO₃ as one of the candidates for investigating macroscopic P , T -odd effects. In this paper, we calculate the atomic electric dipole moments of ²⁰⁷Pb and Pb²⁺, parametrized in terms of the P, T -odd coupling parameter, the nuclear Schiff moment (NSM), S , in the frame-work of the coupled-perturbed Hartree–Fock theory. We estimate the Schiff moment of Pb²⁺ using the experimental result of a system, which is electronically similar to the Pb²⁺ ion. We present the dominant contributions of the electric dipole moment (EDM) matrix elements and the important correlation effects contributing to the atomic EDM of Pb²⁺. Our results provide the first ever calculated EDM of the Pb²⁺ ion, and an estimate of its NSM from which the P, T -odd energy shift in a PbTiO₃ crystal can be evaluated. (paper)