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

Mercury Monohalides: Suitability for Electron Electric Dipole Moment Searches