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The Journal of Chemical Physics

Ground-state features for Heisenberg models

Daniel Klein

Published Sep 15, 1982• 85 citations
Publisher

Abstract

Isotropic Heisenberg models with nearest-neighbor interactions between spins located at the vertices of a bipartite (or alternant) graph are considered. Six theorems helping characterize the ground state are given. Building upon the theorems of Lieb and Mattis concerning the ’’nodelessness’’ of the wave functions and their spin symmetry, we establish related results concerning certain expectation values and ’’point group’’ symmetries. Applications especially concerning valence-bond descriptions of the π-electron systems of organic molecules, are briefly indicated.

DOI
10.1063/1.444232

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Isotropic Heisenberg models with nearest-neighbor interactions between spins located at the vertices of a bipartite (or alternant) graph are considered. Six theorems helping characterize the ground state are given. Building upon the theorems of Lieb and Mattis concerning the ’’nodelessness’’ of the wave functions and their spin symmetry, we establish related results concerning certain expectation values and ’’point group’’ symmetries. Applications especially concerning valence-bond descriptions of the π-electron systems of organic molecules, are briefly indicated.
A special class of Heisenberg spin Hamiltonians with short-range antiferromagnetically signed interactions is described. It is demonstrated via a simple group-theoretic argument that the ground states to many of these Hamiltonians are Kekule states, involving singlet spin-pairing between nearest-neighbour pairs of sites. A number of examples are given and previous related work is indicated. In addition to standard applications to exchange-coupled atomic ions, the relevance of this work for the simple valence-bond model of conjugated pi -electron networks is mentioned.
The J1-J3 Heisenberg spin models with nearest-neighbor (J1) and additional isotropic three-site (J3) spin interactions remain relatively less explored, although such types of competing exchange terms can naturally emerge from different sources, including the strong-coupling expansion of the multiorbital Hubbard model. Below we present a short survey of the recently published research in this field, the emphasis being on the characteristics of the variety of quantum phases supported by a few generic uniform- and alternating-spin J1-J3 Heisenberg chains. For the reason that the positive (J3>0) three-site couplings tend towards the formation of local quantum dimers, the J1-J3 spin models typically experience some spontaneous dimerization upon increasing J3. Actually, it occurred that the established dimer phases in spin-S J1-J3 Heisenberg chains (S>1/2) serve as complete analogues of the famous gapped Majumdar-Ghosh dimer phase in the spin-1/2 Heisenberg chain with next-nearest-neighbor couplings. The same dimerizations have been observed in the alternating-spin (S,σ) J1-J3 chains (S>σ), provided that the cell spin S+σ= integer, whereas for half-integer cell spin, the local dimer formation produces gapless spin-liquid ground states. The alternating-spin J1-J3 chains also provide some typical examples of spin models supporting the so-called non-Lieb-Mattis magnetic phases.
We have studied the spectrum of low-spin eigenstates of a spin-(1/2 Heisenberg model on 4\ifmmode\times\else\texttimes\fi{}4 square lattices with up to third-neighbor antiferromagnetic exchange interactions. We have computed the staggered susceptibility, spin-spin correlation function, and the overlap of the exact ground state with various variational spin-density-wave ordered states as well as with the equal-amplitude, nearest-neighbor resonating-valence-bond state (which is the prototypical short-ranged RVB state). We find evidence for a complicated phase diagram with a region in which a short-ranged RVB state may be the ground state.
The large-N limit of a nearest-neighbor SU(N) antiferromagnet on a bipartite lattice exhibits in dimensions d\ensuremath{\ge}2 a zero-temperature phase transition between a N\'eel ordered state and a resonating-valence-bond state. Here it is shown in d=1,2 that topological effects produce spin-Peierls or valence-bond-solid order in the non-N\'eel phase with a ground-state degeneracy which varies periodically with ``spin'' for fixed N with periodicity given by the coordination number of the lattice. Thus a non-N\'eel phase of the spin-(1/2 Heisenberg model on a square lattice would be a spin-Peierls state with a fourfold degeneracy due to broken lattice rotational symmetry.