Cluster dynamical mean-field calculations for TiOCl

Saha-Dasgupta, T. ; Lichtenstein, A. ; Hoinkis, M. ; Glawion, S. ; Sing, M. ; Claessen4, R. ; Valenti, R. (2007) Cluster dynamical mean-field calculations for TiOCl New Journal of Physics, 9 . p. 380. ISSN 1367-2630

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Official URL: http://iopscience.iop.org/1367-2630/9/10/380

Related URL: http://dx.doi.org/10.1088/1367-2630/9/10/380

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=½ 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.

Item Type:Article
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