Two very different methods — exact diagonalization on finite chains and a variational method — are used to study the possibility of a metal-insulator transition in the symmetric half-filled periodic Anderson-Hubbard model. With this aim we calculate the density of doubly occupied d sites (gn d ) as a function of various parameters. In the absence of on-site Coulomb interaction (U f ) between f electrons, the two methods yield similar results. The double occupancy of d levels remains always finite just as in the one-dimensional Hubbard model. Exact diagonalization on finite chains gives the same result for finite U f , while the Gutzwiller method leads to a Brinkman-Rice transition at a critical value (U ), which depends on U f and V.
Motivated by the recent proposal that the Monte Carlo sign problem might be used as an indicator of quantum phase transitions, we simulate the periodic Anderson model at half-filling with a staggered ionic potential using the determinant quantum Monte Carlo (DQMC) approach. We observe a phase transition from a band insulator to a Kondo insulator as the hybridization increases. At finite temperature, an intermediate metallic region emerges between two insulating phases, which is characterized by a pseudogap in the spectral functions near the boundary of the intermediate region and a quasiparticle peak in the middle. The latter coincides with a crossing point of the
f-electron occupation on different sublattices as well as the maximum antiferromagnetic (AFM) correlations. The metallic region extrapolates to a single quantum critical point at zero temperature, which may result in exotic quasiparticle excitations associated with the emergent metallic state. The Monte Carlo sign problem is found to be most pronounced in the quantum critical region, implying a close connection between the two phenomena. Our results are qualitatively supported by the Hartree-Fock (HF) mean-field calculations. Our work reveals interesting physics in inhomogeneous Kondo lattice systems that may be worthwhile of more investigations in the future.
Two very different methods – exact diagonalization on finite chains and a variational method – are used to study the possibility of a metal-insulator transition in the symmetric half-filled periodic Anderson-Hubbard model. With this aim we calculate the density of doubly occupied d sites (νd) as a function of various parameters. In the absence of on-site Coulomb interaction (Uf ) between f electrons, the two methods yield similar results. The double occupancy of d levels remains always finite just as in the one-dimensional Hubbard model. Exact diagonalization on finite chains gives the same result for finite Uf , while the Gutzwiller method leads to a Brinkman-Rice transition at a critical value (U c d ), which depends on Uf and V .
We construct a class of exact ground states of three-dimensional periodic Anderson models (PAMs), including the conventional PAM, on regular Bravais lattices at and above
3∕4 filling, and discuss their physical properties. In general, the
f electrons can have a (weak) dispersion, and the hopping and the nonlocal hybridization of the
d and
f electrons extend over the unit cell. The construction is performed in two steps. First the Hamiltonian is cast into positive semidefinite form using composite operators in combination with coupled nonlinear matching conditions. This may be achieved in several ways, thus leading to solutions in different regions of the phase diagram. In a second step, a nonlocal product wave function in position space is constructed which allows one to identify various stability regions corresponding to insulating and conducting states. The compressibility of the insulating state is shown to diverge at the boundary of its stability regime. The metallic phase is a non-Fermi-liquid with one dispersing and one flat band. This state is also an exact ground state of the conventional PAM and has the following properties: (i) it is nonmagnetic with spin-spin correlations disappearing in the thermodynamic limit, (ii) density-density correlations are short ranged, and (iii) the momentum distributions of the interacting electrons are analytic functions, i.e., have no discontinuities even in their derivatives. The stability regions of the ground states extend through a large region of parameter space, e.g., from weak to strong on-site interaction
U. Exact itinerant, ferromagnetic ground states are found at and below
1∕4 filling.
We have used the density-matrix renormalization group method to study the ground-state properties of the symmetric periodic Anderson model in one dimension. We have considered lattices with up to
Ns=50 sites, and electron densities ranging from quarter to half filling. Through the calculation of energies, correlation functions, and their structure factors, together with careful extrapolations (toward ${N}_{s}\ensuremath{\rightarrow}\ensuremath{\infty}$), we were able to map out a phase diagram
Uvsn, where
U is the electronic repulsion on
f orbitals, and
n is the electronic density, for a fixed value of the hybridization. At quarter filling,
n=1, our data is consistent with a transition at ${U}_{{c}_{1}}\ensuremath{\simeq}2$, between a paramagnetic (PM) metal and a spin-density-wave (SDW) insulator; overall, the region $U\ensuremath{\lesssim}2$ corresponds to a PM metal for all
n<2. For $1<n\ensuremath{\lesssim}1.5$ a ferromagnetic phase is present within a range of
U, while for $1.5\ensuremath{\lesssim}n<2$, we find an incommensurate SDW phase; above a certain
Uc(n), the system displays a Ruderman-Kittel-Kasuya-Yosida behavior, in which the magnetic wave vector is determined by the occupation of the conduction band. At half filling, the system is an insulating spin liquid, but with a crossover between weak and strong magnetic correlations.
We study the quantum phase diagram of a three dimensional noninteracting Dirac semimetal in the presence of either quenched axial or scalar potential disorder, by calculating the average and the typical density of states as well as the inverse participation ratio using numerically exact methods. We show that as a function of the disorder strength a half-filled (i.e., undoped) Dirac semimetal displays three distinct ground states, namely an incompressible semimetal, a compressible diffusive metal, and a localized Anderson insulator, in stark contrast to a conventional dirty metal that only supports the latter two phases. We establish the existence of two distinct quantum critical points, which respectively govern the semimetal-metal and the metal-insulator quantum phase transitions and also reveal their underlying multifractal nature. Away from half-filling the (doped) system behaves as a diffusive metal that can undergo Anderson localization only, which is shown by determining the mobility edge and the phase diagram in terms of energy and disorder.