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Physical review. B, Condensed matter

Phase diagram of the two-dimensional disordered Hubbard model in the Hartree-Fock approximation

Chandan Dasgupta, J. W. Halleý

Published Jan 1, 1993• 21 citations
Publisher

Abstract

Ground-state properties of the two-dimensional Hubbard model with point-defect disorder are investigated numerically in the Hartree-Fock approximation. The phase diagram in the p(point defect concentration)--\ensuremath{\delta}(deviation from half filling) plane exhibits antiferromagnetic, spin-density-wave, paramagnetic, and spin-glass-like phases. The disorder stabilizes the antiferromagnetic phase relative to the spin-density-wave phase. The presence of U strongly enhances the localization in the antiferromagnetic phase. The spin-density-wave and spin-glass-like phases are weakly localized.

DOI
10.1103/physrevb.47.1126

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•Jan 1, 1995•2 citations
Ground-state properties of the two-dimensional Hubbard model with point-defect disorder are investigated numerically in the Hartree-Fock approximation. The phase diagram in the p(point defect concentration)--\ensuremath{\delta}(deviation from half filling) plane exhibits antiferromagnetic, spin-density-wave, paramagnetic, and spin-glass-like phases. The disorder stabilizes the antiferromagnetic phase relative to the spin-density-wave phase. The presence of U strongly enhances the localization in the antiferromagnetic phase. The spin-density-wave and spin-glass-like phases are weakly localized.
We explore certain properties of the Hartree–Fock approximation to the ground state of the two-dimensional Hubbard model, emphasizing the fact that in the Hartree approach there is an enormous multiplicity of self-consistent solutions which are nearly degenerate in energy, reminiscent of a spin glass, but which may differ substantially in other bulk properties. It is argued that this multiplicity is physically relevant at low temperatures. We study the localization properties of the one-particle wavefunctions comprising the Hartree–Fock states, and find that these are unlocalized at small and moderate values of U/t, in particular in the stripe region, but become highly localized at values corresponding to strong repulsion. We also find rectangular domains as well as stripes in the stripe region of the phase diagram, and study pair correlations in the neighborhood of half-filling.
We consider an extended Hubbard model of interacting fermions on a lattice. The fermion kinetic energy corresponds to a tight-binding Hamiltonian with nearest-neighbor (-t) and next-nearest-neighbor (t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH) hopping matrix elements. In addition to the on-site Hubbard interaction (U) we also consider a nearest-neighbor repulsion (V). We obtain the zero-temperature phase diagram of our model within the Hartree-Fock approximation. We consider ground states having charge- and spin-density-wave ordering as well as states with orbital antiferromagnetism or spin nematic order. The latter two states correspond to particle-hole binding with ${\mathrm{d}}_{{\mathrm{x}}^{2}\mathrm{\ensuremath{-}}{\mathrm{y}}^{2}}$ symmetry in the charge and spin channels, respectively. For t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH=0, only the charge-density-wave and spin-density-wave states are energetically stable. For nonzero t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH, we find that orbital antiferromagnetism (or spin nematic) order is stable over a finite portion of the phase diagram at weak coupling. This region of stability is seen to grow with increasing values of t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH.
Tle Hartree-Fock ground-state phase diagram of the one-dimensional Hubbard model is calculated in the μ-U plane, restricted to phases with no charge density modulation.This allows antiferromagnetism, saturated ferromagnetism, spiral spin density waves and a collinear structure with unit cell H e i s e n b e r g s .T h e s p i r a l p h a s e i s u n s t a b l e a g a i n s t p h a s e s e p a r a t i o n n e a r quarter-, half-and three-quarter-flling.For large U this occurs at hole (or electron) doping of (3t/π2U)1/3 from half-filling.
The Hartree-Fock ground-state phase diagram of the one-dimensional Hubbard model is calculated in the μ−Uμ-Uμ−U plane, restricted to phases with no charge density modulation, extending the results presented in cond-mat/9511116. This allows antiferromagnetism, saturated ferromagnetism, spiral spin density waves and a collinear structure with unit cell ↑↑↓↓\uparrow \uparrow \downarrow \downarrow↑↑↓↓. The spiral phase is unstable against phase separation near quarter-, half- and three-quarter-filling. For large UUU this occurs at hole (or electron) doping of (3t/π2U)1/3(3t/π^{2}U)^{1/3}(3t/π2U)1/3 from half filling.
The applicability of the Hartree-Fock and random phase approximations to models of strongly correlated electrons is discussed. The 2D Hubbard model is analyzed. An antiferromagnetic phase (at half filling) and Fermi liquid behavior (at low electron densities) are found. In addition, the system shows an unconventional regime near half filling. It is characterized by the formation of spin and charge textures. Local magnetic moments and spin waves are also present, and the quasiparticle pole at the Fermi energy vanishes. The charge excitation spectrum is gapless. The overall features resemble those of the 1D Luttinger liquid.
The Hartree-Fock ground state phase diagram of the one-dimensional Hubbard model is calculated, constrained to uniform phases, which have no charge density modulation. The allowed solutions are saturated ferromagnetism (FM), a spiral spin density wave (SSDW) and a double spin density wave} (DSDW). The DSDW phase comprises two canted interpenetrating antiferromagnetic sublattices. FM occurs for small filling, SSDW in most of the remainder of the phase diagram, and DSDW in a narrow tongue near quarter (and three-quarter) filling. Itinerant electrons lift the degeneracy with respect to canting angle in the DSDW. The Hartree-Fock states are metallic except at multiples of a quarter filling. Near half filling the uniform SSDW phase is unstable against phase separation into a half-filled antiferromagnetic phase and a hole-rich SSDW phase. The dependence of the ground state wave number on chemical potential is conjectured to be a staircase. Comparison is made with higher dimensional Hubbard models and the J1−J2J_{1}-J_{2}J1​−J2​ Heisenberg model.