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 ${\mathcal{E}}_{\mathrm{eff}}$, and identify HgBr and HgI as attractive candidates for future electric dipole moment search experiments.

• Received 21 October 2014

DOI:https://doi.org/10.1103/PhysRevLett.114.183001