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Physical Review Letters

Generalized flux phases for thet-Jmodel: A variational Monte Carlo study

Shoudan Liang, Nandini Trivedi

Published Jan 8, 1990• 59 citations
Publisher

Abstract

We calculate the energy of flux states described by Slater determinants of single-particle levels in a uniform magnetic field with p/q flux quanta per plaquette and with no double occupancy. We find the exchange energy of flux states is lower than that of the Gutzwiller wave function by 10%--20%. The minimum kinetic energy is obtained by introducing phases associated with the holes. The phases are calculated by mapping onto a classical frustrated XY model. At 10% doping, the 1/2 flux state (\ensuremath{\pi} phase) is stabilized for the parameter regime J/t\ensuremath{\gtrsim}0.2. At about 20% doping, the time-reversal-breaking (1/3 flux state has the lowest energy for J/t\ensuremath{\gtrsim}1.0.

DOI
10.1103/physrevlett.64.232

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Physical review. B, Condensed matter•Apr 1, 1990•25 citations
We calculate the energy of flux states described by Slater determinants of single-particle levels in a uniform magnetic field with p/q flux quanta per plaquette and with no double occupancy. We find the exchange energy of flux states is lower than that of the Gutzwiller wave function by 10%--20%. The minimum kinetic energy is obtained by introducing phases associated with the holes. The phases are calculated by mapping onto a classical frustrated XY model. At 10% doping, the 1/2 flux state (\ensuremath{\pi} phase) is stabilized for the parameter regime J/t\ensuremath{\gtrsim}0.2. At about 20% doping, the time-reversal-breaking (1/3 flux state has the lowest energy for J/t\ensuremath{\gtrsim}1.0.
The results of a semiclassical variational calculation of the t-J model are presented. The generalized staggered flux phases are introduced. It is found that these flux phases are stable for a large parameter range of the phase diagram. An interesting feature of these flux phases is that for small doping they have the best potential energy and for larger doping they have the best kinetic energy. It is also found that only those flux phases that do not break the local time reversal and parity symmetries are energetically favored. For sufficiently small J/t and doping the spiral phase is stable.
We study wave functions for generalized flux phases by the variational Monte Carlo method. Flux tubes are attached to the holes, which produce additional phase factors besides those due to the motion of electrons. The phase factors cancel each other when the electrons and holes interchange position at some special electron densities and, as a result, there are no orbital currents in these states. We investigate especially the one-third filled case and find a slightly lower kinetic energy than the original commensurate flux phase. We also calculate the chirality to confirm that time-reversal symmetry is also broken in these states. The analogy to the quantum-Hall-effect wave functions leads us to study modified forms of off-diagonal long-range order in the pair-correlation function. The existence of this long-range order is shown explicitly by variational Monte Carlo calculations and renormalized mean-field approximations. The flux phases do not have the usual off-diagonal long-range order but do have a modified form similar to that in the quantum Hall effect. The relationships to the slave-boson mean-field theories and anyon systems are also discussed.
We investigate certain generalized flux phases arising in a mean-field approach to the t-J model. First, we establish that the energy of noninteracting electrons moving in a uniform magnetic field has an absolute minimum as a function of the flux at exactly one flux quantum per particle. Using this result, we show that if the hard-core nature of the hole bosons is taken into account, then the slave-boson mean-field approximation for the t-J Hamiltonian allows for a solution where both the spinons and the holons experience an average flux of one flux quantum per particle. This enables them to achieve the lowest possible energy within the manifold of spatially uniform flux states. In the case of the continuum model, this is possible only for certain fractional fillings and we speculate that the system may react to this frustration effect by phase separation.
Kinetic and magnetic energies are calculated for the two-dimensional Hubbard model using the variational Monte Carlo method and including a fictitious flux phase. In contrast to earlier results for the two-dimensional t-J model, we found all the flux phases studied lie higher in energy than the paramagnetic or the antiferromagnetic states. Near half-filling, the t-J model with no double occupancy on a lattice site is dominated by the magnetic energy, while the Hubbard model with partial double occupancy is dominated by the kinetic energy. When flux phases are introduced into the Hubbard model, the decrease in the magnetic energy is not nearly enough to offset the cost in kinetic energy.
Kinetic and magnetic energies of the staggered flux phase, with a fictitious flux of equal magnitude but opposite direction in adjacent square plaquettes, are calculated for the two-dimensional t-J model using the variational Monte Carlo method. They are compared to the energies of the resonating-valence-bond state, the flux phase with half a quantum per plaquette, and the projected Fermi-liquid state. For about 10% hole concentration the staggered flux phase has the lowest energy of the nonsuperconducting states, but its energy is still higher than that of the superconducting d-wave state.
Antiferromagnetic flux states for the t-J model are investigated on a finite 4\ifmmode\times\else\texttimes\fi{}4 cluster with 2 holes. These wave functions consist of projected Slater determinants of noninteracting wave functions of electrons moving on a lattice with alternating positive and negative magnetic fluxes flowing through the two sublattices of unit cells. Following a recent approach used for commensurate flux phases, we also evaluate the exchange energy and the kinetic energy in the thermodynamic limit. At small J/t ratio the commensurate flux phase is shown to be unstable against the metallic staggered flux phase.