Many-body models for molecular nanomagnets
Mesoscale and Nanoscale Physics
2013-05-06 v1 Strongly Correlated Electrons
Abstract
We present a flexible and effective ab-initio scheme to build many-body models for molecular nanomagnets, and to calculate magnetic exchange couplings and zero-field splittings. It is based on using localized Foster-Boys orbitals as one-electron basis. We apply this scheme to three paradigmatic systems, the antiferromagnetic rings Cr8 and Cr7Ni and the single molecule magnet Fe4. In all cases we identify the essential magnetic interactions and find excellent agreement with experiments.
Cite
@article{arxiv.1211.3243,
title = {Many-body models for molecular nanomagnets},
author = {A. Chiesa and S. Carretta and P. Santini and G. Amoretti and E. Pavarini},
journal= {arXiv preprint arXiv:1211.3243},
year = {2013}
}
Comments
5 pages, 3 figures