Interplay of strong correlations and covalency in ionic band insulators
Strongly Correlated Electrons
2025-09-11 v3
Abstract
We address the role of electronic correlations in different kinds of band insulators by using the two-orbital Hubbard model within the dynamical mean-field theory (DMFT). An intriguing finding is that electronic correlations turn a metal into a band insulator when ionicity and covalency are equal in ratio.We conclude that the electronic correlations favour metallicity when the covalency is smaller than the ionicity, while they favour insulating behaviour when the covalency is greater than ionicity.
Keywords
Cite
@article{arxiv.1907.00761,
title = {Interplay of strong correlations and covalency in ionic band insulators},
author = {Nagamalleswararao Dasari and Sujan K. K. and Juana Moreno and N. S. Vidhyadhiraja},
journal= {arXiv preprint arXiv:1907.00761},
year = {2025}
}
Comments
13 pages and 8 figures