Cluster Dynamical Mean-field calculations for TiOCl

Details Cluster Dynamical Mean-field calculations for TiOCl Cluster Dynamical Mean-field calculations for TiOCl

2006-12-06

arxiv.org/abs/cond-mat/0612166v2

New J. Phys. 9, 380 (2007)

Physics

Condensed Matter

Strongly Correlated Electrons

9 pages, 3 figures, improved version as published

Scientific paper

10.1088/1367-2630/9/10/380

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.

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