Abstract:
The soft X-ray absorption spectroscopy (XAS) at L-edge is a powerful tool to study in 3d transition metal-oxide the correlation between spin, charge, and orbital degrees of freedom. However, the atomic multiplet effects arising from the interaction between the core hole and the valance elections complicate the information delivered from XAS. It thus requires aid from the modeling calculations to look insight into the XAS. In this talk, I will introduce a new computational code developed in our group that can analyze the XAS. In this code, the full atomic-multiplet, local solid-state effects, and spin-orbital coupling are employed to solve the quantum many-body ground state wavefunction. And Green’s function is employed to propagate the ground state to the final state to generate the XAS. By fitting with the experimental XAS, interesting quantum information like spin, charge, orbital, and the correlation between them can be obtained.
Keywords - XAS, modeling quantum many-bondy calculaion