Analysis of Enhancement factors of Parity and Time Reversal Violating Effects for Monofluorides

Heavy polar diatomic molecules are currently one of the leading candidates for probing physics beyond the Standard Model via studies of time-reversal (T) and parity (P) violations. In this work, we analyze the effective electric field (Eeff) that is required for determining the electron electric dipole moment (eEDM), and the scalar-pseudoscalar (S-PS) interaction constant (Ws), in group 12 and group 2 systems. We use a relativistic coupled cluster method for our calculations, and find that group 12 monofluorides have large Eeff and Ws (for example, the values of Eeff and Ws of CnF, the heaviest group 12 fluoride, are 662 GV/cm and 3360 kHz, respectively). The reason for this is the contraction of the valence s and p orbitals due to the weak screening effect of the outermost core's d electron. The calculations of Eeff and Ws show that their ratio, (Ws/Eeff), increases with Z. Based on these results, as well as experimental suitability, we propose SrF and CdF as new candidate molecules for experiment.