Towards the search of electron electric dipole moment: correlation calculations of the P,T-violation effect in the Eu${}^{++}$ cation

Abstract

Recently the Eu${}_{0.5}$Ba${}_{0.5}$TiO${}_3$ solid was suggested as a promising candidate for experimental search of the electron electric dipole moment. To interpret the results of this experiment one should calculate the effective electric field acting on an unpaired (spin-polarized) electrons of europium cation in the crystal because the value of this field cannot be measured experimentally. The Eu${}^{++}$ cation is considered in the paper in the uniform external electric field $E_{\mathrm{ext}}$ as our first and simplest model simulating the state of europium in the crystal. We have performed high-level electronic structure correlation calculation using coupled clusters theory (and scalar-relativistic approximation for valence and outer core electrons at the molecular pseudopotential calculation stage that is followed by the four-component spinor restoration of the core electronic structure) to evaluate the enhancement coefficient $K=E_{\mathrm{eff}}/E_{\mathrm{ext}}$ (where $E_{\mathrm{ext}}$ is the applied external electric field and $E_{\mathrm{eff}}$ is the induced effective electric field acting on an unpaired electron in Eu${}^{++}$). A detailed computation analysis is presented. The calculated value of $K$ is -4.6.

References in corpus (3)

• Search for the electric dipole moment of the electron with thorium monoxide
• First-principles design and subsequent synthesis of a material to search for the permanent electric dipole moment of the electron
• The prospects for an electron electric dipole moment search with ferroelectric (Eu,Ba)TiO${}_3$ ceramics

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