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Register a new userGutzwiller description of non-magnetic Mott insulators: a dimer lattice model
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We introduce a novel extension of the Gutzwiller variational wavefunction able to deal with insulators that escape any mean-field like description, as for instance non-magnetic insulators. As an application, we study the Mott transition from a paramagnetic metal into a non-magnetic Peierls, or valence-bond, Mott insulator. We analyze this model by means of our Gutzwiller wavefunction analytically in the limit of large coordination lattices, where we find that: (1) the Mott transition is first order; (2) the Peierls gap is large in the Mott insulator, although it is mainly contributed by the electron repulsion; (3) singlet-superconductivity arises around the transition.
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We present benchmark calculations of the Anderson lattice model based on the recently-developed ghost Gutzwiller approximation. Our analysis shows that, in some parameters regimes, the predictions of the standard Gutzwiller approximation can be incorrect by orders of magnitude for this model. We show that this is caused by the inability of this method to describe simultaneously the Mott physics and the hybridization between correlated and itinerant degrees of freedom (whose interplay often governs the metal-insulator transition in real materials). Finally, we show that the ghost Gutzwiller approximation solves this problem, providing us with results in remarkable agreement with dynamical mean field theory throughout the entire phase diagram, while being much less computationally demanding. We provide an analytical explanation of these findings and discuss their implications within the context of ab-initio computation of strongly-correlated matter.
We investigate the evolution of the Mott insulators in the triangular lattice Hubbard Model, as a function of hole doping $delta$ in both the strong and intermediate coupling limit. Using the density matrix renormalization group (DMRG) method, at light hole doping $deltalesssim 10%$, we find a significant difference between strong and intermediate couplings. Notably, at intermediate coupling an unusual metallic state emerges, with short ranged spin correlations but long ranged spin-chirality order. Moreover, no clear Fermi surface or wave-vector is observed. These features disappear on increasing interaction strength or on further doping. At strong coupling, the 120 degree magnetic order of the insulating magnet persists for light doping, and produces hole pockets with a well defined Fermi surface. On further doping, $delta approx 10%sim 20%$ SDW order and coherent hole Fermi pockets are found at both strong and intermediate coupling. At even higher doping $delta gtrsim 20%$, the SDW order is suppressed and the spin-singlet Cooper pair correlations are simultaneously enhanced. We interpret this as the onset of superconductivity on suppressing magnetic order. We also briefly comment on the strong particle hole asymmetry of the model, and contrast electron versus hole doping.
We report X-ray irradiation-induced carrier doping effects on the electrical conductivity in the organic dimer-Mott insulators $kappa$-(ET)$_{2}$$X$ with $X =$ Cu[N(CN)$_{2}$]Cl and Cu$_{2}$(CN)$_{3}$. For $kappa$-(ET)$_{2}$Cu[N(CN)$_{2}$]Cl, we have observed a large decrease of the resistivity by 40 % with the irradiation at 300 K and the metal-like temperature dependence down to about 50 K. The irradiation-induced defects expected at the donor molecule sites might cause a local imbalance of the charge transfer in the crystal. Such molecular defects result in the effective doping of carriers into the half-filled dimer-Mott insulators.
Within the Landau paradigm, phases of matter are distinguished by spontaneous symmetry breaking. Implicit here is the assumption that a completely symmetric state exists: a paramagnet. At zero temperature such quantum featureless insulators may be forbidden, triggering either conventional order or topological order with fractionalized excitations. Such is the case for interacting particles when the particle number per unit cell, f, is not an integer. But, can lattice symmetries forbid featureless insulators even at integer f? An especially relevant case is the honeycomb (graphene) lattice --- where free spinless fermions at f=1 (the two sites per unit cell mean f=1 is half filling per site) are always metallic. Here we present wave functions for bosons, and a related spin-singlet wave function for spinful electrons, on the f=1 honeycomb, and demonstrate via quantum to classical mappings that they do form featureless Mott insulators. The construction generalizes to symmorphic lattices at integer f in any dimension. Our results explicitly demonstrate that in this case, despite the absence of a non-interacting insulator at the same filling, lack of order at zero temperature does not imply fractionalization.
Motivated by recent experimental progress on various cluster Mott insulators, we study an extended Hubbard model on a breathing Kagom{e} lattice with a single electron orbital and $1/6$ electron filling. Two distinct types of cluster localization are found in the cluster Mott regime due to the presence of the electron repulsion between neighboring sites, rather than from the on-site Hubbard interaction in the conventional Mott insulators. We introduce a unified parton construction framework to accommodate both type of cluster Mott insulating phase as well as a trivial Ferm liquid metal and discuss the phase transitions in the phase diagram. It is shown that, in one of the cluster localization phases, the strong inter-site repulsion results into locally metallic behavior within one of two triangular clusters on the breathing Kagom{e} lattice. We further comment on experimental relevance to existing Mo-based cluster magnets.
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