Abstract
Based on a combination of cluster dynamical mean field theory (DMFT) and density functional calculations, we calculated the angle-integrated spectral density in the layered s=1/2 quantum magnet TiOCl. The agreement with recent photoemission and oxygen K-edge x-ray absorption spectroscopy experiments is found to be good. The improvement achieved with this calculation with respect to previous single-site DMFT calculations is an indication of the correlated nature and low-dimensionality of TiOCl.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have