Ferromagnetism and doublon localization in a Wannier-Hubbard chain

Abstract

We derive a "Wannier-Hubbard" model consisting of an array of overlapping atomic orbitals interacting via a local Coulomb interaction. Transforming to an orthogonal Wannier basis set, the resulting Hamiltonian displays long range hopping and interactions, with new terms such as correlated hopping and ferromagnetic direct exchange, among others. We numerically study the one-dimensional version of the model at half-filling using the density matrix renormalization group (DMRG) method, unveiling a rich phase diagram as a function of the interaction $U$ and the overlap $s$ with metallic, and ferromagnetic phases, separated by a ferrimagnetic region. Our results indicate a path toward understanding new emergent phases under pressure and beyond standard model Hamiltonians.

References in corpus (6)

• The density-matrix renormalization group in the age of matrix product states
• Real time evolution using the density matrix renormalization group
• Time-step targetting methods for real-time dynamics using DMRG
• Nonstandard superconductivity or no superconductivity in hydrides under high pressure
• A continuous Mott transition between a metal and a quantum spin liquid
• Dynamic Hubbard model for solids with hydrogen-like atoms