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arXiv:cond-mat/9701200 · Physical review. B, Condensed matter

Variational states for the spin-Peierls system

Holger Frahm, John Schliemann

Published Sep 1, 1997• 4 citations
arXivHTMLPDF

Abstract

We introduce a family of Jastrow pair product states for quasi-one-dimensional spin systems. Depending on a parameter they interpolate between the resonating valence-bond ground state of the Haldane-Shastry model describing a spin liquid and the (dimerized) valence-bond solid ground states of the Majumdar-Ghosh spin chain. These states are found to form an excellent basis for variational studies of Heisenberg chains with next-nearest-neighbor interactions and bond alternation as realized in the spin-Peierls system CuGeO${}_{3}$.

DOI
10.1103/physrevb.56.5359

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We introduce a family of Jastrow pair product states for quasi-one-dimensional spin systems. Depending on a parameter they interpolate between the resonating valence-bond ground state of the Haldane-Shastry model describing a spin liquid and the (dimerized) valence-bond solid ground states of the Majumdar-Ghosh spin chain. These states are found to form an excellent basis for variational studies of Heisenberg chains with next-nearest-neighbor interactions and bond alternation as realized in the spin-Peierls system CuGeO3{}_{3}3​.
We present a variational matrix product state (vMPS) for the ground state of the spin-1/2 Heisenberg model. The MPS effectively organizes the various dimer configurations, in faithful reflection of the resonating valence bond picture of the spin liquid, with the energy only 0.024% higher than the exact value given by Bethe ansatz. Building on the ground-state vMPS, the one-spin wave function is constructed in a simple manner with the dispersion that matches well with the exact spectrum. The vMPS scheme is applied to the family of Hamiltonian extrapolating between the Heisenberg model and the Majumdar-Ghosh model.
I propose a new paired-wavefunction with a parameter that continuously interpolates from the 1D Jastrow-product to the Majumdar-Ghosh dimer-wavefunction appropriate for the frustrated Heisenberg S=1/2S = 1/2S=1/2 antiferromagnet. This spin paired-state constructed in SzS_zSz​ basis is an alternative to the well-known resonating-valence-bond basis state for describing the S=0S = 0S=0 ground-state with no apparent long-range spin order. Some numerical evidences are presented.
We discuss spin-SSS antiferromagnetic Heisenberg chains with three-spin interactions, next-nearest-neighbor interactions, and bond alternation. First, we prove rigorously that there exist parameter regions of the exact dimerized ground state in this system. This is a generalization of the Majumdar-Ghosh model to arbitrary SSS. Next, we discuss the ground-state phase diagram of the models by introducing several effective field theories and the universality classes of the transitions are described by the level-2S2S2S SU(2)\mathrm{SU}(2)SU(2) Wess-Zumino-Witten model and the Gaussian model. Finally, we determine the phase diagrams of S=1S=1S=1 and S=3/2S=3/2S=3/2 systems by using exact diagonalization and level spectroscopy.
Using the matrix product formalism, we define a multiparameter family of spin models on one-dimensional chains, with nearest- and next-nearest-neighbor interactions for which exact analytical expressions can be found for its doubly degenerate ground states. The family of Hamiltonians depends on five continuous parameters and the Majumdar-Ghosh model is a particular point in this parameter space. The model can also be represented as a zigzag spin ladder in which there are extra three-particle couplings between spins on vertices of triangles. The doubly degenerate ground states of these models models have a very simple structure, they are the product of entangled (dimer) states on adjacent sites (or consecutive rungs of the ladder in the zigzag ladder picture). At the Majumdar-Ghosh point, these entangled states become the spin-singlets pertaining to this model. We will also calculate, in closed form, the two point correlation functions, both for finite sizes of the chain and in the thermodynamic limit.
We have obtained an analytic expression for the k-dependence of the excitation energy gap for an arbitrary double S = 1/2 spin chain by using the non-local unitary transformation and the variational method. We check that it explains the gap behaviour of various systems, which include the Haldane system and the dimer system in both extreme limits, and also the ladder model and the Majumdar - Ghosh model. The string order parameter, the dimer order parameter, and the local spin value are also calculated in the ground state. The ground-state energy exhibits a great stabilization by an antiferromagnetic bond dimerization, which might be realized in various new compounds. We also mention the relation of the convergence to the Haldane state with the spin-exchange symmetry of the model. The excited state has one domain wall of a local triplet type except in the vicinity of the Majumdar - Ghosh point, where a local triplet is decomposed into two S = 1/2 free spins moving among the singlet dimers.
The bulk properties and impurity effect in the one-dimensional S=1/2 Heisenberg model with dimerization and next-nearest-neighbor exchange are studied by the density matrix renormalization group (DMRG) and exact diagonalization methods. This model widely covers the S=1 Heisenberg model, two-leg ladders, bond-alternating chains and the S=1/2 Heisenberg model. Almost the whole parameter space belongs to the Haldane phase. In the non-dimerizing limit a transition to a kind of spin liquid takes place, characterized by the delocalized spin polarization. This transition causes the distinct impurity effects between a spin-Peierls compound CuGeO_{3} and the Haldane systems. Experimental aspects of a bond-alternating compound CuNb_{2}O_{6} are also discussed. Furthermore, the incommensurate correlation arising in this model is extensively studied, and a phase diagram is constructed.