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arXiv:cond-mat/0309265 · Physical Review B

Antiferromagnetism and phase separation in the t−J model at low doping: A variational study

Dmitri A. Ivanov

Published Sep 8, 2004• 42 citations
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Abstract

Using Gutzwiller-projected wave functions, I estimate the ground-state energy of the $t\text{\ensuremath{-}}J$ model for several variational states relevant for high-temperature cuprate superconductors. The results indicate that both the superconducting state and the staggered-flux normal state (proposed for vortex cores) are unstable at low doping towards antiferromagnetism and towards phase separation. While phase separation in the underdoped superconducting state may be relevant for the stripe formation mechanism, the results for the normal state suggest that similar charge inhomogeneities may also appear in vortex cores up to relatively high doping values.

DOI
10.1103/physrevb.70.104503

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A theoretical investigation of boson versions of the $t\ensuremath{-}J$ and $t\ensuremath{-}{J}_{z}$ models on the square lattice is carried out, by means of Green's function Monte Carlo simulations. Accurate ground-state energy estimates as a function of hole doping are obtained, allowing one to investigate the stability of the uniform phase against separation of the system into hole-rich and hole-free phases. In the boson $t\ensuremath{-}{J}_{z}$ model, such a separation is found to occur for arbitrarily small values of ${J}_{z},$ at sufficiently low hole doping. Phase separation is suppressed in the boson $t\ensuremath{-}J$ model, which features a uniform ground state at any doping, for $J/t\ensuremath{\lesssim}1.5.$ Relevance of this study to the corresponding fermion models is discussed. Fermi statistics enhances the tendency toward phase separation; in particular, phase separation at low doping is predicted in the fermion $t\ensuremath{-}{J}_{z}$ model at any ${J}_{z}>0.$ The possible formation of stripes of holes is investigated for systems featuring both periodic and cylindrical boundary conditions. No evidence of a striped ground state is found in either the $t\ensuremath{-}J$ or $t\ensuremath{-}{J}_{z}$ boson models.

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Motivated by the observation of inhomogeneous patterns in some high-${T}_{c}$ cuprate compounds, several variational Gutzwiller-projected wave functions with built-in charge and bond-order parameters are proposed for the extended $t\text{\ensuremath{-}}J\text{\ensuremath{-}}V$ model on the square lattice at low doping. First, following a recent Gutzwiller-projected mean-field approach by one of us [D. Poilblanc, Phys. Rev. B 72, 060508(R) (2005)], we investigate, as a function of doping and Coulomb repulsion the relative stability of a wide variety of modulated structures with square unit cells of size $2\ifmmode\times\else\texttimes\fi{}2$, $\sqrt{8}\ifmmode\times\else\texttimes\fi{}\sqrt{8}$, $4\ifmmode\times\else\texttimes\fi{}4$, and $\sqrt{32}\ifmmode\times\else\texttimes\fi{}\sqrt{32}$. It is found that the $4\ifmmode\times\else\texttimes\fi{}4$ bond-order wave function with staggered-flux pattern (and small charge and spin current density wave) is a remarkable competitive candidate for hole doping around $1∕8$ in agreement with scanning tunneling microscopy observations in the underdoped regime of some cuprates. This wave function is then optimized accurately and its properties studied extensively using a variational Monte Carlo scheme. Moreover, we find that under increasing the Coulomb repulsion, the $d$-wave superconducting RVB wave function is rapidly destabilized with respect to the $4\ifmmode\times\else\texttimes\fi{}4$ bond-order wave function. The stability of the bond-modulated wave function is connected to a gain of Coulomb and exchange energies. We suggest that such ordering patterns could be dynamical or could spontaneously appear in the vicinity of an impurity or a vortex in the mixed phase of the cuprates. Finally, we consider also a commensurate flux phase, but this wave function turns out not to be competitive because of its rather poor kinetic energy. However, we find it has very competitive exchange and Coulomb energies.

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Chung-Pin Chou, Ting-Kuo Lee

We carry out the variational Monte Carlo calculation to examine spatially inhomogeneous states in hole- and electron-doped cuprates. By using Gutzwiller approximation, we consider the excitations, arising from charge density, spin density, and pair field, of the mean-field ground state of the $t$-$J$ model. It leads to the stripe patterns we have found numerically in a generalized $t$-$J$-type model including mass renormalization from the electron-phonon coupling. In the hole-doped side, a robust $d$-wave superconducting order results in the formation of the half-doped antiferromagnetic resonating-valence-bond (AF-RVB) stripes shown by the well-known Yamada plot. On the other hand, due to a long-range AF order in electron-doped materials, a stripe structure with the ``in-phase'' magnetic domain (IPMD) is obtained in the underdoped regime instead of the AF-RVB stripe. The IPMD stripe with the largest period permitted by lattice size is stabilized near the underdoped region and it excludes the Yamada plot from electron-doped cases. Based on finite lattice size to which we can reach, the existence of IPMD stripes may imply an electronic phase separation into an electron-rich and an insulating half-filled AF long-range ordered domains in electron-doped compounds.

Physical Review B•Mar 14, 2012•11 citations
Using Gutzwiller-projected wave functions, I estimate the ground-state energy of the t\ensuremath-Jt\text{\ensuremath{-}}Jt\ensuremath-J model for several variational states relevant for high-temperature cuprate superconductors. The results indicate that both the superconducting state and the staggered-flux normal state (proposed for vortex cores) are unstable at low doping towards antiferromagnetism and towards phase separation. While phase separation in the underdoped superconducting state may be relevant for the stripe formation mechanism, the results for the normal state suggest that similar charge inhomogeneities may also appear in vortex cores up to relatively high doping values.
A normal (nonsuperconducting) ground state of the t-J model may be variationally approximated by a Gutzwiller-projected wave function. Within this approximation, at small hole doping near half-filling, the normal state favors staggered-flux ordering. Such a staggered-flux state may occur in vortex cores of underdoped high-temperature cuprate superconductors. From comparing the energies of the staggered-flux state and of the superconducting state, we numerically obtain the condensation energy. Extracting the superfluid density directly from the projected superconducting wave function, we can also estimate the coherence length at zero temperature.
A theoretical investigation of boson versions of the $t\ensuremath{-}J$ and $t\ensuremath{-}{J}_{z}$ models on the square lattice is carried out, by means of Green's function Monte Carlo simulations. Accurate ground-state energy estimates as a function of hole doping are obtained, allowing one to investigate the stability of the uniform phase against separation of the system into hole-rich and hole-free phases. In the boson $t\ensuremath{-}{J}_{z}$ model, such a separation is found to occur for arbitrarily small values of Jz,{J}_{z},Jz​, at sufficiently low hole doping. Phase separation is suppressed in the boson $t\ensuremath{-}J$ model, which features a uniform ground state at any doping, for $J/t\ensuremath{\lesssim}1.5.$ Relevance of this study to the corresponding fermion models is discussed. Fermi statistics enhances the tendency toward phase separation; in particular, phase separation at low doping is predicted in the fermion $t\ensuremath{-}{J}_{z}$ model at any Jz>0.{J}_{z}>0.Jz​>0. The possible formation of stripes of holes is investigated for systems featuring both periodic and cylindrical boundary conditions. No evidence of a striped ground state is found in either the $t\ensuremath{-}J$ or $t\ensuremath{-}{J}_{z}$ boson models.
The ground state of two-dimensional t – J model including superconductivity and antiferromagnetism is studied using a new type of analytic estimation of the effect of strong correlation. The method is an extension of the Gutzwiller approximation which gives renormalization of parameters, t and J , due to the Gutzwiller projection operator excluding double occupancies. It is shown that the essential point of the renormalization is its dependence on the expectation values of superconductivity and antiferromagnetic moment. In special the renormalization factor is anisotropic in spin space, which leads to a reliable estimate of antiferromagnetic order parameters in the phase diagram, in contrast to the conventional slave-boson mean-field theory. The obtained phase diagram shows the coexistence of antiferromagnetism and d x 2 - y 2 -wave superconductivity for the doping rate, δ, less than 10%. At half-filling, the renormalization of the J -term represents some aspects of quantum spin nature. For the finite doping case, there are two kinds of superconducting order parameters. The variational order parameter of the d-wave superconductivity increases as the doping rate decreases, which will correspond to the experimentally observed superconducting gap. In contrast, the actual expectation value of superconducting order parameter is proportional to δ in underdoped region and has a maximum near δ=0.11, which probably determines T c . We also speculate that the ground-state antiferromagnetic order, being destroyed at finite temperatures, gives the energy and temperature scale of the pseudogap. Applications to the inhomogeneous systems such as the vortex state and stripe state are discussed.
Motivated by the observation of inhomogeneous patterns in some high-Tc{T}_{c}Tc​ cuprate compounds, several variational Gutzwiller-projected wave functions with built-in charge and bond-order parameters are proposed for the extended $t\text{\ensuremath{-}}J\text{\ensuremath{-}}V$ model on the square lattice at low doping. First, following a recent Gutzwiller-projected mean-field approach by one of us [D. Poilblanc, Phys. Rev. B 72, 060508(R) (2005)], we investigate, as a function of doping and Coulomb repulsion the relative stability of a wide variety of modulated structures with square unit cells of size $2\ifmmode\times\else\texttimes\fi{}2$, $\sqrt{8}\ifmmode\times\else\texttimes\fi{}\sqrt{8}$, $4\ifmmode\times\else\texttimes\fi{}4$, and $\sqrt{32}\ifmmode\times\else\texttimes\fi{}\sqrt{32}$. It is found that the $4\ifmmode\times\else\texttimes\fi{}4$ bond-order wave function with staggered-flux pattern (and small charge and spin current density wave) is a remarkable competitive candidate for hole doping around 1∕81∕81∕8 in agreement with scanning tunneling microscopy observations in the underdoped regime of some cuprates. This wave function is then optimized accurately and its properties studied extensively using a variational Monte Carlo scheme. Moreover, we find that under increasing the Coulomb repulsion, the ddd-wave superconducting RVB wave function is rapidly destabilized with respect to the $4\ifmmode\times\else\texttimes\fi{}4$ bond-order wave function. The stability of the bond-modulated wave function is connected to a gain of Coulomb and exchange energies. We suggest that such ordering patterns could be dynamical or could spontaneously appear in the vicinity of an impurity or a vortex in the mixed phase of the cuprates. Finally, we consider also a commensurate flux phase, but this wave function turns out not to be competitive because of its rather poor kinetic energy. However, we find it has very competitive exchange and Coulomb energies.
We present variational Monte Carlo (VMC) results for the Gutzwiller-projected coexisting state including both antiferromagnetic (AFM) order and superconducting (SC) order in the two-dimensional t-t'-t"-J model. By further considering off-site spin correlation between electrons, in contrast to earlier VMC results [Phys. Rev. Lett. 102, 027002 (2009)], we find the apparent competition between AFM order and SC order near the underdoped regime instead of coexistence. The local ferromagnetic correlation introduced by spin-spin Jastrow correlators seem to be responsible for the disappearance of the coexisting state. We also demonstrate that the quasiparticle spectral weight from upper (lower) AFM band are strongly diminished (enhanced) by the spin-spin correlation. This result obviously leads to the loss of antinodal electron pockets and the appearance of nodal hole pockets as passing from the AFM phase to the SC phase in hole-doped cuprates, which is in consistent with the observation by angle-resolved photoemission spectroscopy.
We carry out the variational Monte Carlo calculation to examine spatially inhomogeneous states in hole- and electron-doped cuprates. By using Gutzwiller approximation, we consider the excitations, arising from charge density, spin density, and pair field, of the mean-field ground state of the ttt-JJJ model. It leads to the stripe patterns we have found numerically in a generalized ttt-JJJ-type model including mass renormalization from the electron-phonon coupling. In the hole-doped side, a robust ddd-wave superconducting order results in the formation of the half-doped antiferromagnetic resonating-valence-bond (AF-RVB) stripes shown by the well-known Yamada plot. On the other hand, due to a long-range AF order in electron-doped materials, a stripe structure with the ``in-phase'' magnetic domain (IPMD) is obtained in the underdoped regime instead of the AF-RVB stripe. The IPMD stripe with the largest period permitted by lattice size is stabilized near the underdoped region and it excludes the Yamada plot from electron-doped cases. Based on finite lattice size to which we can reach, the existence of IPMD stripes may imply an electronic phase separation into an electron-rich and an insulating half-filled AF long-range ordered domains in electron-doped compounds.