Correlation effects in the electronic structure of Mn$_4$ molecular magnet
Materials Science
2011-01-14 v1 Mesoscale and Nanoscale Physics
Abstract
We present joint theoretical-experimental study of the correlation effects in the electronic structure of (pyH)[MnOCl(OAc)]2MeCN molecular magnet (Mn). Describing the many-body effects by cluster dynamical mean-field theory, we find that Mn is predominantly Hubbard insulator with strong electron correlations. The calculated electron gap (1.8 eV) agrees well with the results of optical conductivity measurements, while other methods, which neglect many-body effects or treat them in a simplified manner, do not provide such an agreement. Strong electron correlations in Mn may have important implications for possible future applications.
Keywords
Cite
@article{arxiv.0804.0792,
title = {Correlation effects in the electronic structure of Mn$_4$ molecular magnet},
author = {D. W. Boukhvalov and L. I. Vergara and V. V. Dobrovitski and M. I. Katsnelson and A. I. Lichtenstein and P. Kögerler and J. L. Musfeldt and B. N. Harmon},
journal= {arXiv preprint arXiv:0804.0792},
year = {2011}
}
Comments
5 RevTeX pages, 2 EPS figures