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arXiv:2501.07541 · Physical review. B./Physical review. B

Magnetic phases of the periodic Anderson model in two dimensions

Imre Hagymási

Published Jun 23, 2025• 1 citation
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Abstract

We investigate the ground-state properties of the periodic Anderson model on the square lattice across various band fillings. Employing the infinite projected entangled-pair states (iPEPS) technique, we can determine the magnetic ground states accurately and compare them to mean-field predictions to highlight the effects of quantum fluctuations. At half-filling, we analyze the transition between the antiferromagnetic and paramagnetic (Kondo singlet) phases as a function of hybridization and $f$-level energy, finding excellent agreement with existing quantum Monte Carlo studies in the case of hybridization. For $n = 1.5$ electrons per site, we identify a novel correlated antiferromagnetic diagonal stripe phase as the ground state, which competes with its ferromagnetic partner state.

DOI
10.1103/dh8r-v24r

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We investigate the ground-state properties of the periodic Anderson model on the square lattice across various band fillings. Employing the infinite projected entangled-pair states (iPEPS) technique, we can determine the magnetic ground states accurately and compare them to mean-field predictions to highlight the effects of quantum fluctuations. At half-filling, we analyze the transition between the antiferromagnetic and paramagnetic (Kondo singlet) phases as a function of hybridization and fff-level energy, finding excellent agreement with existing quantum Monte Carlo studies in the case of hybridization. For n=1.5n = 1.5n=1.5 electrons per site, we identify a novel correlated antiferromagnetic diagonal stripe phase as the ground state, which competes with its ferromagnetic partner state.
We have studied the ground-state properties of the symmetric and asymmetric one-dimensional periodic Anderson model as a function of band filling and the model parameters (V,U,(V,U,(V,U,and Ef){E}_{f})Ef​) using the local mean-field (LMF) approach. We have constructed the phase diagram for both cases and have calculated the energy, local moment, and occupation number of the f level. The LMF approach can reveal the basic properties of the system throughout the entire parameter space. For the symmetric case ${(E}_{f}=\ensuremath{-}U/2),$ close to quarter and half filling the antiferromagnetic phase is the ground state. For intermediate band-filling there is a second-order phase transition to a ferromagnetic state. At quarter filling there is a transition from a metallic paramagnetic state to an insulating antiferromagnetic state as the on-site Coulomb interaction increases. The asymmetric case is treated in the mixed-valence regime (Ef=0).{(E}_{f}=0).(Ef​=0). At half filling the ground state is antiferromagnetic while at or close to quarter filling it is paramagnetic. Below half filling the ground state becomes ferromagnetic, suggesting that doping destroys rapidly the antiferromagnetic $f\ensuremath{-}f$ spin correlations. For small values of U we find a paramagnetic state at all band fillings. Results for the average occupation number of the f level compare well with density matrix renormalization group calculations.
Periodic Anderson model is one of the most important models in the field of strongly correlated electrons. With the recent developed numerical method density matrix embedding theory, we study the ground state properties of the periodic Anderson model on a two-dimensional square lattice. We systematically investigate the phase diagram away from half filling. We find three different phases in this region, which are distinguished by the local moment and the spin–spin correlation functions. The phase transition between the two antiferromagnetic phases is of first order. It is the so-called Lifshitz transition accompanied by a reconstruction of the Fermi surface. As the filling is close to half filling, there is no difference between the two antiferromagnetic phases. From the results of the spin–spin correlation, we find that the Kondo singlet is formed even in the antiferromagnetic phase.
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{N}_{s}=50Ns​=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 UvsnU\phantom{\rule{4pt}{0ex}}\mathrm{vs}\phantom{\rule{4pt}{0ex}}nUvsn, where UUU is the electronic repulsion on fff orbitals, and nnn is the electronic density, for a fixed value of the hybridization. At quarter filling, n=1n=1n=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<2n<2n<2. For $1<n\ensuremath{\lesssim}1.5$ a ferromagnetic phase is present within a range of UUU, while for $1.5\ensuremath{\lesssim}n<2$, we find an incommensurate SDW phase; above a certain Uc(n){U}_{c}(n)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 performed numerical diagonalization studies of the periodic Anderson Model on finite chains up to 6 sites, in the integral valence limit for T=0. We find that in the weak coupling (Kondo) region the hybridization between f and conduction electrons induces pronounced correlations between the f spins. These correlations are ferromagnetic for low filling and become antiferromagnetic close to half-filling, with a smooth transition between the limiting cases. In no limit can the physics be completely described by a Ruderman–Kittel–Kasuya–Yosida effective spin Hamiltonian, as f and conduction band electrons are always correlated. To study the onset of long range order we considered also a simpler model for the half-filled case, called ‘‘Kondo necklace.’’ We studied the model at T=0 by numerical diagonalization and finite-size scaling, on chains up to 12 sites. We find that below a finite critical value of the Kondo coupling there exists a gapless phase with quasi long range antiferromagnetic correlations.
The ground-state properties of the periodic Anderson model on one-dimensional chains from three to six sites are studied by exact diagonalization. An appropriate average over boundary conditions is found to be necessary in order to eliminate finite-size oscillations. In the weak-coupling limit, the results for the short-range correlations suggest a smooth transition from a ferromagnetic state at low electron concentration to an antiferromagnetic state at half-filling, rather than a sudden jump at a critical concentration.