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Register a new userQuantum-embedding description of the Anderson lattice model with the ghost Gutzwiller Approximation
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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.
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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.
Partially-projected Gutzwiller variational wavefunctions are used to describe the ground state of disordered interacting systems of fermions. We compare several different variational ground states with the exact ground state for disordered one-dimensional chains, with the goal of determining a minimal set of variational parameters required to accurately describe the spatially-inhomogeneous charge densities and spin correlations. We find that, for weak and intermediate disorder, it is sufficient to include spatial variations of the charge densities in the product state alone, provided that screening of the disorder potential is accounted for. For strong disorder, this prescription is insufficient and it is necessary to include spatially inhomogeneous variational parameters as well.
The recently proposed diagrammatic expansion (DE) technique for the full Gutzwiller wave function (GWF) is applied to the Anderson lattice model (ALM). This approach allows for a systematic evaluation of the expectation values with GWF in the finite dimensional systems. It introduces results extending in an essential manner those obtained by means of standard Gutzwiller Approximation (GA) scheme which is variationally exact only in infinite dimensions. Within the DE-GWF approach we discuss principal paramagnetic properties of ALM and their relevance to heavy fermion systems. We demonstrate the formation of an effective, narrow $f$-band originating from atomic $f$-electron states and subsequently interpret this behavior as a mutual intersite $f$-electron coherence; a combined effect of both the hybridization and the Coulomb repulsion. Such feature is absent on the level of GA which is equivalent to the zeroth order of our expansion. Formation of the hybridization- and electron-concentration-dependent narrow effective $f$-band rationalizes common assumption of such dispersion of $f$ levels in the phenomenological modeling of the band structure of CeCoIn$_5$. Moreover, we show that the emerging $f$-electron coherence leads in a natural manner to three physically distinct regimes within a single model, that are frequently discussed for 4$f$- or 5$f$- electron compounds as separate model situations. We identify these regimes as: (i) mixed-valence regime, (ii) Kondo-insulator border regime, and (iii) Kondo-lattice limit when the $f$-electron occupancy is very close to the $f$ electrons half-filling, $langlehat n_{f}ranglerightarrow1$. The non-Landau features of emerging correlated quantum liquid state are stressed.
We develop the Gutzwiller approximation method to obtain the renormalized Hamiltonian of the SU(4) $t$-$J$ model, with the corresponding renormalization factors. Subsequently, a mean-field theory is employed on the renormalized Hamiltonian of the model on the honeycomb lattice under the scenario of a cooperative condensation of carriers moving in the resonating valence bond state of flavors. In particular, we find the extended $s$-wave superconductivity is much more favorable than the $d+id$ superconductivity in the doping range close to quarter filling. The pairing states of the SU(4) case reveal the property that the spin-singlet pairing and the spin-triplet pairing can exist simultaneously. Our results might provide new insights into the twisted bilayer graphene system.
We study Gutzwiller-correlated wave functions as variational ground states for the two-impurity Anderson model (TIAM) at particle-hole symmetry as a function of the impurity separation ${bf R}$. Our variational state is obtained by applying the Gutzwiller many-particle correlator to a single-particle product state. We determine the optimal single-particle product state fully variationally from an effective non-interacting TIAM that contains a direct electron transfer between the impurities as variational degree of freedom. For a large Hubbard interaction $U$ between the electrons on the impurities, the impurity spins experience a Heisenberg coupling proportional to $V^2/U$ where $V$ parameterizes the strength of the on-site hybridization. For small Hubbard interactions we observe weakly coupled impurities. In general, for a three-dimensional simple cubic lattice we find discontinuous quantum phase transitions that separate weakly interacting impurities for small interactions from singlet pairs for large interactions.
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