Blue absorption and red emission of Bi2+ in solids: strongly spin–orbit coupled 6p levels in low symmetry fields

Abstract

Ab initio calculations on a (BiO₈)¹⁴⁻ cluster under the effects of a high symmetry O_h confinement potential are used to study the energies of the ²P_1/2, ²P_3/2(1), and ²P_3/2(2) spin–orbit coupling levels of the 6s²6p configuration of Bi²⁺ in O_h, D_4h, D_2h, D₄, D_2d, D₂, S₄, C_4v, C₄, C_3v, C_2v, C₂, C_s, and C₁ fields, together with the ²P_1/2 → ²P_3/2(1) and ²P_1/2 → ²P_3/2(2) absorption oscillator strengths and the ²P_3/2(1) radiative lifetime.