Cluster dynamical mean-field calculations for TiOCl
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.
- Publication:
-
New Journal of Physics
- Pub Date:
- October 2007
- DOI:
- 10.1088/1367-2630/9/10/380
- arXiv:
- arXiv:cond-mat/0612166
- Bibcode:
- 2007NJPh....9..380S
- Keywords:
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- Condensed Matter - Strongly Correlated Electrons
- E-Print:
- 9 pages, 3 figures, improved version as published