# Correlation effects in the electronic structure of Mn$4$ molecular magnet - Condensed Matter > Materials Science

Correlation effects in the electronic structure of Mn$4$ molecular magnet - Condensed Matter > Materials Science - Download this document for free, or read online. Document in PDF available to download.

Abstract: We present joint theoretical-experimental study of the correlation effects inthe electronic structure of pyH$3$Mn$4$O$3$Cl$7$OAc$3$$\cdot$2MeCNmolecular magnet Mn$4$. Describing the many-body effects by clusterdynamical mean-field theory, we find that Mn$4$ is predominantly Hubbardinsulator with strong electron correlations. The calculated electron gap 1.8eV agrees well with the results of optical conductivity measurements, whileother methods, which neglect many-body effects or treat them in a simplifiedmanner, do not provide such an agreement. Strong electron correlations inMn$4$ may have important implications for possible future applications.

Author: D. W. Boukhvalov, L. I. Vergara, V. V. Dobrovitski, M. I. Katsnelson, A. I. Lichtenstein, P. Kögerler, J. L. Musfeldt, B. N. Har

Source: https://arxiv.org/