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Journal of Physics Condensed Matter

Generalized dimer states

M W Long, C A Hayward

Published Apr 4, 1994• 2 citations
Publisher

Abstract

We present a new class of variational wavefunctions that can be used to investigate quantum antiferromagnetic systems. The states are a natural generalization of the nearest-neighbour dimer phases which have been thoroughly studied in the literature. We describe a one-dimensional class of total-spin-singlet wavefunctions, which include as special cases the two nearest-neighbour dimer phases and the exact solution to the total-spin-two projector Hamiltonian. These different solutions are 'smoothly' interpolated by a range of singlets with short-range correlations. Although the states have only short-range order, we can obtain over 98% of the ground-state energy of the nearest-neighbour Heisenberg model. We apply our basis to the J 1 -J 2 Heisenberg model and the single hole in the t 1 -t 2 infinite-U Hubbard model, successfully predicting the behaviour observed in finite-size scaling calculations.

DOI
10.1088/0953-8984/6/14/015

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Journal of Physics Condensed Matter•Aug 15, 1994•1 citation
We present a new class of variational wavefunctions that can be used to investigate quantum antiferromagnetic systems. The states are a natural generalization of the nearest-neighbour dimer phases which have been thoroughly studied in the literature. We describe a one-dimensional class of total-spin-singlet wavefunctions, which include as special cases the two nearest-neighbour dimer phases and the exact solution to the total-spin-two projector Hamiltonian. These different solutions are 'smoothly' interpolated by a range of singlets with short-range correlations. Although the states have only short-range order, we can obtain over 98% of the ground-state energy of the nearest-neighbour Heisenberg model. We apply our basis to the J 1 -J 2 Heisenberg model and the single hole in the t 1 -t 2 infinite-U Hubbard model, successfully predicting the behaviour observed in finite-size scaling calculations.
We present variational calculations for quantum spin-half models based upon modifications to nearest-neighbour dimer states. Using a sequence of projections we can attempt a sort of finite-size scaling, in the number of variational parameters, towards the exact solution. For the simple nearest-neighbour Heisenberg model we achieve an error of only 0.005% in energy for our most accurate calculation, much better than an equivalent Lanczos calculation. With which we compare. Due to the fact that we control the total spin in our wavefunctions, we can evaluate the coherence lengths associated with cyclic-exchange permutations (the spin-half sector) and for spin-spin correlations (the spin-one sector), yielding, for example, a convincing numerical confirmation that the spin-one biquadratic-exchange Hamiltonian has a finite correlation length. We perform a study of the one-dimensional J 1 -J 2 model, trying to predict the onset of the phase transition by searching directly for the divergence of the correlation length. Our calculations predict the phase transition near J 2 /J 1 approximately 1/4, as expected. We also perform a study of the ladder geometry, giving further evidence that infinitesimal coupling between ladders yields an immediate gap in the spectrum. The only complication is that the minimization over our space of variational parameters is subtle: surprisingly complicated and "difficult to find" structure is observed in our low-energy solutions which might make our approach of limited use.
The phase diagram of a frustrated S=1/2 antiferromagnetic spin ladder with additional next-nearest neighbor exchanges, both diagonal and inchain, is studied by a weak-coupling effective field theory approach combined with exact diagonalization for finite systems. In addition to two known phases with rung-singlet and Haldane-type ground states, we observe two new phases with dimerization along the chains. Furthermore, the transitions between the different phases are studied and shown to be either first order or to belong to the universality class of the two-dimensional Ising model. The nature of elementary excitations is discussed briefly.
SU ( N ) quantum spin systems may be realized in a variety of physical systems including ultracold atoms in optical lattices. The study of such models also leads to insights into possible novel quantum phases and phase transitions of SU (2) spin models. Here we use Gutzwiller projected fermionic variational wavefunctions to explore the phase diagram and correlation functions of SU ( N ) quantum spin models in the self-conjugate representation. In one dimension, the ground state of the SU (4) spin chain with Heisenberg bilinear and biquadratic interactions is studied by examining instabilities of the Gutzwiller projected free fermion ground state to various broken symmetries. The variational phase diagram so obtained agrees well with exact results. The spin–spin and dimer–dimer correlation functions of the Gutzwiller projected free fermion state with N flavours of fermions are in good agreement with exact and 1/ N calculations for the critical points of SU ( N ) spin chains. In two dimensions, the phase diagram of the antiferromagnetic Heisenberg model on the square lattice is obtained by finding instabilities of the Gutzwiller projected π-flux state. In the absence of biquadratic interactions, the model exhibits long-range Néel order for N = 2 and 4, and spin Peierls (columnar dimer) order for N >4. Upon including biquadratic interactions in the SU (4) model (with a sign appropriate to a fermionic Hubbard model), the Néel order diminishes and eventually disappears, giving way to an extended valence bond crystal. In the case of the SU (6) model, the dimerized ground state melts at sufficiently large biquadratic interaction, yielding a projected π-flux spin liquid phase which in turn undergoes a transition into an extended valence bond crystal at even larger biquadratic interaction. The spin correlations of the projected π-flux state at N = 4 are in good agreement with 1/ N calculations. We find that the state shows strongly enhanced dimer correlations, in qualitative agreement with recent theoretical predictions. We also compare our results with a recent quantum Monte Carlo study of the SU (4) Heisenberg model.
We consider in detail the ground-state properties of recently introduced generalized Heisenberg models which can have several spin operators at each site and which interpolate smoothly between Heisenberg chains of different spin lengths. We show that the mappings to field-theoretical models used to describe the critical properties of the Heisenberg model remain valid in the composite-spin model. In models which interpolate between the spin-(1/2 and the spin-1 behavior, these mappings predict an extended singlet phase around the isotropic antiferromagnetic point whenever the models move away from the spin-(1/2 point. Numerical calculations on finite chains seem to confirm the existence of this singlet phase. The phase boundaries are, however, found to be independent of the interpolation parameter, and thus in disagreement with the predictions of the continuum theory, indicating its limitation.
In the limit of dominant nearest-neighbour hopping and infinitesimal secondand third-nearest-neighbour hopping, the Hubbard model is solvable in the sense that it separates into two models which have previously been analysed in the literature. The solutions are spin-charge separated and involve highly correlated motion of the electrons. Although in general the solutions are too complicated to analyse, there are two quite specific states which are amenable to direct analytical attack: the phase boundary between the quantum paramagnet and the Nagaoka ferromagnet, and the 'dimer' phase where all spins pair up into nearest-neighbour singlets. We have been able to evaluate both (n(k)) and (S -k .S k ) accurately enough to deduce the qualitative behaviour for the two types of state in question. The second of these correlation functions is directly relevant to neutron-scattering studies. Although the solutions are highly correlated and spin-charge separated, the correlations are reminiscent of the non-interacting 'spinfull' free-electron gas solution, the spin response exhibiting a divergence where the noninteracting susceptibility does, for example.