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arXiv:cond-mat/0004265 · Physical review. B, Condensed matter

Ferromagnetism and phase separation in one-dimensional d−p and periodic Anderson models

M. Guerrero, R. M. Noack

Published Mar 21, 2001• 14 citations
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Abstract

Using the density matrix renormalization group, we study metallic ferromagnetism in a one-dimensional copper-oxide model that contains one oxygen p orbital and one copper d orbital. The parameters for the $d\ensuremath{-}p$ model can be chosen so that it is similar to the one-dimensional periodic Anderson model. For these parameters, we compare the ground-state phase diagram with that of the Anderson model and find a ferromagnetic region analogous to one found in the Anderson model, but which is pushed to somewhat higher densities and interaction strengths. In both models, we find a region within the ferromagnetic phase in which phase separation between a localized ferromagnetic domain and a weakly antiferromagnetic regime occurs. We then choose a set of parameter values appropriate for copper-oxide materials and explore the ground-state phase diagram as a function of the oxygen-oxygen hopping strength and the electron density. We find three disconnected regions of metallic ferromagnetism and give physical pictures of the three different mechanisms for ferromagnetism in these phases.

DOI
10.1103/physrevb.63.144423

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Using the density matrix renormalization group, we study metallic ferromagnetism in a one-dimensional copper-oxide model that contains one oxygen p orbital and one copper d orbital. The parameters for the d\ensuremath−pd\ensuremath{-}pd\ensuremath−p model can be chosen so that it is similar to the one-dimensional periodic Anderson model. For these parameters, we compare the ground-state phase diagram with that of the Anderson model and find a ferromagnetic region analogous to one found in the Anderson model, but which is pushed to somewhat higher densities and interaction strengths. In both models, we find a region within the ferromagnetic phase in which phase separation between a localized ferromagnetic domain and a weakly antiferromagnetic regime occurs. We then choose a set of parameter values appropriate for copper-oxide materials and explore the ground-state phase diagram as a function of the oxygen-oxygen hopping strength and the electron density. We find three disconnected regions of metallic ferromagnetism and give physical pictures of the three different mechanisms for ferromagnetism in these phases.
We studied ferromagnetism in the one-dimensional Hubbard model with doubly degenerate atomic orbitals by means of the density-matrix renormalization-group method and obtained the ground-state phase diagrams. It was found that ferromagnetism is stable from low to high (0<n<1.75)(0<n<1.75)(0<n<1.75) electron density when the interactions are sufficiently strong. The quasi-long-range order of triplet superconductivity coexists with the ferromagnetic order for a strong Hund coupling region, where the interorbital interaction ${U}^{\ensuremath{'}}\ensuremath{-}J$ is attractive. At quarter-filling (n=1),(n=1),(n=1), the insulating ferromagnetic state appears, accompanying orbital quasi-long-range order. For low densities (n<1),(n<1),(n<1), ferromagnetism occurs owing to the ferromagnetic exchange interaction caused by virtual hoppings of electrons, the same as in the quarter-filled system. This comes from separation of the charge and spin-orbital degrees of freedom in the strong-coupling limit. This ferromagnetism is fragile against variation of band structure. For high densities (n>1),(n>1),(n>1), the phase diagram of the ferromagnetic phase is similar to that obtained in infinite dimensions. In this case, the double exchange mechanism is operative for stabilizing the ferromagnetic order and this long-range order is robust against variation of the band dispersion. A partially polarized state appears in the density region $1.68\ensuremath{\lesssim}n\ensuremath{\lesssim}1.75$ and phase separation occurs for n just below the half-filling (n=2).(n=2).(n=2).
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.
The zero temperature phase diagram of the ferromagnetic Kondo model in one dimension is studied using numerical techniques, especially at large Hund coupling. A robust region of fully saturated ferromagnetism (FM) is identified at all densities. Phase separation between hole-rich and hole-poor regions and a paramagnetic regime with quasilocalized holes were also observed. It is argued that these phases will also appear in two and three dimensions. Our results apply both to manganites and one-dimensional compounds such as ${\mathrm{Y}}_{2\ensuremath{-}x}{\mathrm{Ca}}_{x}{\mathrm{BaNiO}}_{5}$. As the transition metal ion spin grows, the hole mobility rapidly decreases, explaining the differences between Cu oxides and Mn oxides.
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.
We present the zero-temperature phase diagram of the one-dimensional t2g{t}_{2\mathrm{g}}t2g​-orbital Hubbard model, obtained using the density-matrix renormalization group and Lanczos techniques. Emphasis is given to the case of the electron density n=5n=5n=5 corresponding to five electrons per site, while several other cases for electron densities between n=3n=3n=3 and 6 are also studied. At n=5n=5n=5, our results indicate a first-order transition between a paramagnetic (PM) insulator phase, with power-law slowly decaying correlations, and a fully polarized ferromagnetic (FM) state by tuning the Hund's coupling. The results also suggest a transition from the n=5n=5n=5 PM insulator phase to a metallic regime by changing the electron density, either via hole or electron doping. The behavior of the spin, charge, and orbital correlation functions in the FM and PM states are also described in the text and discussed. The robustness of these two states against varying parameters suggests that they may be of relevance in quasi-one-dimensional Co-oxide materials, or even in higher dimensional cobaltite systems as well.