Mercury Monohalides: Suitability for Electron Electric Dipole Moment Searches

Abstract

Heavy polar diatomic molecules are the primary tools for searching for the T-violating permanent electric dipole moment of the electron (eEDM). Valence electrons in some molecules experience extremely large effective electric fields due to relativistic interactions. These large effective electric fields are crucial to the success of polar-molecule-based eEDM search experiments. Here we report on the results of relativistic ab initio calculations of the effective electric fields in a series of molecules that are highly sensitive to an eEDM, the mercury monohalides (HgF, HgCl, HgBr,and HgI). We study the influence of the halide anions on effective electric field, and identify HgBr and HgI as interesting candidates for future electric dipole moment search experiments.

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• Enhanced sensitivity of the electron electric dipole moment from YbOH: The role of theory
• Merits of Heavy-Heavy Molecules for Electron Electric Dipole Moment Searches
• Calculations of Time-Reversal Symmetry Violation Sensitivity Parameters Based on Analytic Relativistic Coupled-Cluster Gradient Theory
• Analysis of large effective electric fields of weakly polar molecules for electron electric dipole moment searches
• Relativistic Exact Two-Component Coupled-Cluster Study of Molecular Sensitivity Factors for Nuclear Schiff Moments
• Multivalent optical cycling centers in polyatomic molecules
• Van der Waals molecules consisting of a zinc or cadmium atom interacting with an alkali-metal or alkaline-earth-metal atom
• Towards CP Violation Studies on Superheavy Molecules: Theoretical and Experimental Perspective
• Theoretical analysis of effective electric fields in mercury monohalides
• Ultralong-range Rydberg molecules of Hg atoms
• A survey of nuclear quadrupole deformation in order to estimate the nuclear MQM and its relative contribution to the atomic EDM