Charge order on a triangular lattice with Mott physics and arbitrary charge density
Phys. Rev. B 114, 105127 – Published 18 August, 2026
DOI: https://doi.org/10.1103/kx4q-ly63
Abstract
Triangular-lattice systems attract a lot of attention due to various frustration-induced and strongly correlated effects. Here, we focus on the charge-ordering phenomenon by means of investigation of the extended Hubbard model with dynamical mean-field theory (DMFT). By considering the intersite nearest-neighbor interaction we have found a very rich phase diagram that contains a large number of features, phases, and phase transitions. Among them are site-selective Mott transitions; pinball-liquid (PL) phases where we distinguish charge-transfer-driven and Mott-localization-driven PLs; phase transitions that change their order as model parameters evolve (from discontinuous to continuous); very strong particle-hole asymmetry. Various features of the phase diagram are found to be better understood by means of the simple mean-field approximation (MFA). Moreover, besides helping with interpretation of the phase diagram, the MFA results together with results for the atomic-limit model are found to be able to set rather good expectations on how the DMFT phase diagram should look. Nevertheless, a few features were not expected and are found within the DMFT, such as a small-region intermediate metallic phase on an electron-doped side of the phase diagram.