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. Th e 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.
@article{arxiv.cond-mat/0612166,
title = {Cluster Dynamical Mean-field calculations for TiOCl},
author = {T. Saha-Dasgupta and A. Lichtenstein and M. Hoinkis and S. Glawion and M. Sing and R. Claessen and R. Valenti},
journal= {arXiv preprint arXiv:cond-mat/0612166},
year = {2009}
}