Electronic structure and magnetism of a ferromagnetic insulator Cs2AgF4: explanation for a lilac colour and a prediction for the anisotropic g factor

Magnetic properties of stechiometric Cs2AgF4 have been calculated within a very strong correlation limit taking into account a low-symmetry crystal field and the intra-atomic spin-orbit coupling of the Ag2+ ion. We consistently explain the insulating ground state and the magnetic state revealing the spin gap of 2.6 meV below Tc of 14.9 K. A d-d excitation of 2.0-2.3 eV related to the t2g-eg promotion energy (=10Dq) is a reason for the lilac colour of Cs2AgF4. Our approach can be experimentally verified by the measurement of the g factor (gz =2.12 and gy =2.52) and the absorption energy at 2.0-2.3 eV.
Comment: 4 pages, 2 figures embedded