Approximate formula for the macroscopic polarization including quantum fluctuations
Strongly Correlated Electrons
2018-12-14 v2 Materials Science
Abstract
The many-body Berry phase formula for the macroscopic polarization is approximated by a sum of natural orbital geometric phases with fractional occupation numbers accounting for the dominant correlation effects. This reduced formula accurately reproduces the exact polarization in the Rice-Mele-Hubbard model across the band insulator-Mott insulator transition. A similar formula based on a one-body reduced Berry curvature accurately predicts the interaction-induced quenching of Thouless topological charge pumping.
Cite
@article{arxiv.1709.03372,
title = {Approximate formula for the macroscopic polarization including quantum fluctuations},
author = {Ryan Requist and E. K. U. Gross},
journal= {arXiv preprint arXiv:1709.03372},
year = {2018}
}