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Physical Review B

Incommensurate spin-density-wave and metal-insulator transition in the one-dimensional periodic Anderson model

Pedro Bertussi, M. B. Silva Neto, Tatiana G. Rappoport, André Luiz Malvezzi, Raimundo R. dos Santos

Published Aug 15, 2011• 5 citations
Publisher

Abstract

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 ${N}_{s}=50$ 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 $U\phantom{\rule{4pt}{0ex}}\mathrm{vs}\phantom{\rule{4pt}{0ex}}n$, 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 ${U}_{c}(n)$, 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.

DOI
10.1103/physrevb.84.075156

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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 Ns\ensuremath→\ensuremath∞{N}_{s}\ensuremath{\rightarrow}\ensuremath{\infty}Ns​\ensuremath→\ensuremath∞), 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 Uc1\ensuremath≃2{U}_{{c}_{1}}\ensuremath{\simeq}2Uc1​​\ensuremath≃2, between a paramagnetic (PM) metal and a spin-density-wave (SDW) insulator; overall, the region U\ensuremath≲2U\ensuremath{\lesssim}2U\ensuremath≲2 corresponds to a PM metal for all n<2n<2n<2. For 1<n\ensuremath≲1.51<n\ensuremath{\lesssim}1.51<n\ensuremath≲1.5 a ferromagnetic phase is present within a range of UUU, while for 1.5\ensuremath≲n<21.5\ensuremath{\lesssim}n<21.5\ensuremath≲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 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.
We map out the phase diagram of the one-dimensional Anderson lattice by studying the ground-state magnetization as a function of band filling using the density matrix renormalization group technique. For strong coupling, we find that the quarter-filled system has an S=0 ground state with strong antiferromagnetic correlations. As additional electrons are put in, we find first a ferromagnetic phase, as reported by M\"oller and W\"olfle, and then a phase in which the ground state has total spin S=0. Within this S=0 phase, we find Ruderman-Kittel-Kasuya-Yosida oscillations in the spin-spin correlation functions. \textcopyright{} 1996 The American Physical Society.
In order to better understand Kondo insulators, we have studied both the symmetric and asymmetric Anderson lattices at half filling in one dimension using the density-matrix formulation of the numerical renormalization group. The asymmetric case is treated in the mixed-valence regime. We have calculated the charge gap, the spin gap, and the quasiparticle gap as a function of the repulsive interaction U using open boundary conditions for lattices as large as 24 sites. We find that the charge gap is larger than the spin gap for all U for both the symmetric and asymmetric cases. Ruderman-Kittel-Kasuya-Yosida interactions are evident in the f-spin--f-spin correlation functions at large U in the symmetric case, but are suppressed in the asymmetric case as the f level approaches the Fermi energy. This suppression can also be seen in the staggered susceptibility \ensuremath{\chi}(q=2kF{\mathit{k}}_{\mathit{F}}kF​) and it is consistent with neutron scattering measurements of \ensuremath{\chi}(q) in CeNiSn.
We investigate the effect of the Coulomb interaction, Ucf{U}_{cf}Ucf​, between the conduction and fff electrons in the periodic Anderson model using the density matrix renormalization group algorithm. We calculate the excitation spectrum of the half-filled symmetric model with an emphasis on the spin and charge excitations. In the one-dimensional version of the model, it is found that the spin gap is smaller than the charge gap below a certain value of Ucf{U}_{cf}Ucf​ and the reversed inequality is valid for stronger Ucf{U}_{cf}Ucf​. This behavior is also verified by the behavior of the spin and density correlation functions. We also perform a quantum information analysis of the model and determine the entanglement map of the fff and conduction electrons. It is revealed that for a certain Ucf{U}_{cf}Ucf​ the ground state is dominated by the configuration in which the conduction and fff electrons are strongly entangled, and the ground state is almost a product state. For larger Ucf{U}_{cf}Ucf​, the sites are occupied alternatingly dominantly by two fff electrons or by two conduction electrons.
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.
In order to clarify the physics of the crossover from a spin-density-wave (SDW) Mott insulator to a charge-density-wave (CDW) Peierls insulator in one-dimensional (1D) systems, we investigate the Hubbard-Holstein Hamiltonian at half filling within a density matrix renormalisation group (DMRG) approach. Determining the spin and charge correlation exponents, the momentum distribution function, and various excitation gaps, we confirm that an intervening metallic phase expands the SDW-CDW transition in the weak-coupling regime.