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arXiv:2203.16483 · Physical review. B./Physical review. B

Ferromagnetism and doublon localization in a Wannier-Hubbard chain

Samuel Milner, Phillip Weinberg, Adrian E. Feiguin

Published Jul 18, 2022• 1 citation
arXivHTMLPDF

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 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 emergent phases under pressure and beyond standard model Hamiltonians.

DOI
10.1103/physrevb.106.035128

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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 method, unveiling a rich phase diagram as a function of the interaction UUU and the overlap sss with metallic and ferromagnetic phases separated by a ferrimagnetic region. Our results indicate a path toward understanding emergent phases under pressure and beyond standard model Hamiltonians.
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We studied ferromagnetism in the one-dimensional Hubbard model with doubly degenerate atomic orbitals by means of the density-matrix renormalization-group method and obtained the ground-state phase diagrams. It was found that ferromagnetism is stable from low to high (0<n<1.75)(0<n<1.75)(0<n<1.75) electron density when the interactions are sufficiently strong. The quasi-long-range order of triplet superconductivity coexists with the ferromagnetic order for a strong Hund coupling region, where the interorbital interaction ${U}^{\ensuremath{'}}\ensuremath{-}J$ is attractive. At quarter-filling (n=1),(n=1),(n=1), the insulating ferromagnetic state appears, accompanying orbital quasi-long-range order. For low densities (n<1),(n<1),(n<1), ferromagnetism occurs owing to the ferromagnetic exchange interaction caused by virtual hoppings of electrons, the same as in the quarter-filled system. This comes from separation of the charge and spin-orbital degrees of freedom in the strong-coupling limit. This ferromagnetism is fragile against variation of band structure. For high densities (n>1),(n>1),(n>1), the phase diagram of the ferromagnetic phase is similar to that obtained in infinite dimensions. In this case, the double exchange mechanism is operative for stabilizing the ferromagnetic order and this long-range order is robust against variation of the band dispersion. A partially polarized state appears in the density region $1.68\ensuremath{\lesssim}n\ensuremath{\lesssim}1.75$ and phase separation occurs for n just below the half-filling (n=2).(n=2).(n=2).
A wide variety of experimental platforms, ranging from semiconductor quantum-dot arrays to moiré materials, have recently emerged as powerful quantum simulators for studying the Hubbard model and its variants. Motivated by these developments, here, we investigate a generalization of the Hubbard model which includes the effects of long-range Coulomb interactions. Working on finite-sized two-dimensional square and triangular lattices, we use exact diagonalization and density-matrix renormalization group calculations to probe the magnetic structure of the ground state in the strong-coupling regime, where UUU (the onsite repulsion) ≫\gg≫ ttt (the nearest-neighbor hopping). For small electron dopings above the half-filled antiferromagnet, we numerically uncover a rich variety of magnetically ordered states, and in conjunction with theoretical arguments, infer the phase diagram of the system as a function of doping and interaction strengths. In particular, we find that the inclusion of long-range Coulomb interactions induces an instability of high-spin states$\unicode{x2014}$such as the saturated Nagaoka ferromagnet$\unicode{x2014}$towards phase separation and stripe ordering. We also present proposals for the observation of some of our key findings in experiments that would shed further light on this paradigmatic strongly correlated system.
The Lieb theorem is a cornerstone of quantum magnetism theory in condensed matter. In this work, we investigate the instability of the Lieb insulating ferrimagnetic phase in the extended Hubbard model on a trimer chain at half-filling, with one electron per site, under increasing the nearest-neighbor Coulomb coupling VVV. Our results show that despite a noticeable increase in doublon density with VVV, the ferrimagnetic insulating phase remains robust up to the phase separation (PS) line, which is observed at $V\ensuremath{\gtrsim}U/4$, where UUU is the local Coulomb repulsion. Above the PS line, one of the coexisting phases is primarily populated by doublons on one of the two sublattices of the chain. This phase coexists with a metallic, unsaturated ferromagnetic phase for $U\ensuremath{\gtrsim}t$, and with a singlet phase for $U\ensuremath{\lesssim}t$, where ttt is the intratrimer hopping amplitude. We estimate the PS and the crossover lines with the help of density matrix renormalization group calculations.
We study the ground-state phase diagram of the Anderson-Hubbard model with correlated hopping at half-filling in one dimension. The Hamiltonian has a local Coulomb repulsion UUU and a disorder potential with local energies randomly distributed in the interval $(\ensuremath{-}W,+W)$ with equal probability, acting on the singly occupied sites. The hopping process which modifies the number of doubly occupied sites is forbidden. The hopping between nearest-neighbor singly occupied and empty sites or between singly occupied and doubly occupied sites has the same amplitude ttt. We identify three different phases as functions of the disorder amplitude WWW and Coulomb interaction strength U>0U>0U>0. When U<4tU<4tU<4t the system shows a metallic phase: (i) only when no disorder is present W=0W=0W=0 or an Anderson-localized phase, (ii) when disorder is introduced $W\ensuremath{\ne}0$. When U>4tU>4tU>4t the Anderson-localized phase survives as long as disorder effects dominate on the interaction effects, otherwise a Mott-insulator phase (iii) arises. Phases (i) and (ii) are characterized by a finite density of doublons and a vanishing charge gap among the ground state and the excited states. Phase (iii) is characterized by the vanishing density of doublons and a finite gap for the charge excitations.
Since its introduction in 1963, the Hubbard model has becomes one of the most popular models used in the literature to study cooperative phenomena in narrow-band metals (ferromagnetism, metal-insulator transitions, charge-density waves, high-Tc superconductivity). Amongst all these cooperative phenomena, the problem of itinerant ferromagnetism in the Hubbard model has the longest history. However, in spite of an impressive research activity in the past, the underlying physics (microscopic mechanisms) that leads to the stabilization of itinerant ferromagnetism in Hubbard model (narrow-band metals) is still far from being understood. In this review we present our numerical results concerning this subject, which have been reached by small cluster exact diagonalization, density matrix renormalization group and quantum Monte Carlo calculations within various extensions of the Hubbard model. Particular attention is paid to a description of crucial mechanisms (interactions) that support the stabilization of the ferromagnetic state, and namely: (i) the long-range hopping, (ii) the correlated hopping, (iii) the long-range Coulomb interaction, (iv) the flat bands and (v) the lattice structure. Most of the presented results have been obtained for the one-dimensional case, but the influence of the increasing dimension of the system on the ferromagnetic state is also intensively discussed.