First-principles calculations of parameters of electron-vibrational interaction and estimations of Jahn-Teller stabilization energy for Cr3+ ion in elpasolites

From the calculated values of the Huang-Rhys factors and available in the literature frequencies of normal vibrations for the a1g and eg modes for Cs2NaYX6:Cr3+ (X = F, Cl, Br) crystals the Jahn-Teller stabilization energy for Cr3+ ion in the 4T2g excited state was estimated. The obtained results are compared with estimations from the available experimental data.