The spin pair-correlation function of finite bipartite antiferromagnetic Heisenberg quantum spin rings was studied numerically by means of exact diagonalization techniques. For large spins, the spectrum of the spin pair-correlation function is of a remarkably simple structure: It consists of few characteristic peaks at low, and a broad featureless signal at high temperatures. This arises as the energy spectrum exhibits a set of parallel rotational bands at low energies emerging into a quasi-continuum of states, with transitions from the lowest rotational band to the quasi-continuum being highly suppressed. The energies of the rotational bands can be accurately described by a generalized dispersion relation that depends on the total spin quantum number and, as usual, on the shift quantum number. These regularities are better fulfilled the larger the spin length but the smaller the ring size. It will be shown that all these features are associated with the underlying sublattice structure of the spin rings, and it is argued that they are valid for a more general class of finite Heisenberg systems than rings.
Accurate results are obtained for the low-temperature magnetization vs magnetic field of Heisenberg spin rings consisting of an even number
N of intrinsic spins
s=1∕2,1,3∕2,2,5∕2,3,7∕2 with nearest-neighbor antiferromagnetic exchange by employing a numerically exact quantum Monte Carlo method. A straightforward analysis of this data, in particular, the values of the level-crossing fields, provides accurate results for the lowest-energy eigenvalue
EN(S,s) for each value of the total spin quantum number
S. In particular, the results are substantially more accurate than those provided by the rotational band approximation. For $s\ensuremath{\leqslant}5∕2$, data are presented for all even $N\ensuremath{\leqslant}20$, which are particularly relevant for experiments on finite magnetic rings. Furthermore, we find that for $s\ensuremath{\geqslant}3∕2$, the dependence of
EN(S,s) on
s can be described by a scaling relation, and this relation is shown to hold well for ring sizes up to
N=80 for all intrinsic spins in the range $3∕2\ensuremath{\leqslant}s\ensuremath{\leqslant}7∕2$. Considering ring sizes in the interval $8\ensuremath{\leqslant}N\ensuremath{\leqslant}50$, we find that the energy gap between the ground state and the first excited state approaches zero proportional to $1∕{N}^{\ensuremath{\alpha}}$, where $\ensuremath{\alpha}\ensuremath{\approx}0.76$ for
s=3∕2 and $\ensuremath{\alpha}\ensuremath{\approx}0.84$ for
s=5∕2. Finally, we demonstrate the usefulness of our present results for
EN(S,s) by examining the
Fe12 ring-type magnetic molecule, leading to a more accurate estimate of the exchange constant for this system than has been obtained heretofore.
The dynamical properties of spin-1 and spin-1/2 antiferromagnetic Heisenberg chains (AHC's) are studied by diagonalizing exactly clusters of up to 18 and 26 sites, respectively. It is shown that the spin-1 AHC has a quasi-single-mode spectrum for momentum k\ensuremath{\ge}0.3\ensuremath{\pi}, while the low-energy edge of the spin-1/2 AHC is dominated by a spin-wave continuum. The dispersion curve obtained for the spin-1 chain is in excellent agreement with recent experiments on Ni(
C2H8N2)2NO2ClO4. The size dependence of the low-energy spectral weights is also analyzed.
The natural explanation of the excitation spectrum of the spin-1 antiferromagnetic Heisenberg chain is given from the viewpoint of the spin-1/2 ferromagnetic-antiferromagnetic alternating Heisenberg chain. The energy spectrum of the latter is calculated with fixed momentum
k by numerical diagonalization of finite size systems. It consists of a branch of propagating triplet pair (triplet wave) and the continuum of multiple triplet waves for weak ferromagnetic coupling. As the ferromagnetic coupling increases, the triplet wave branch is absorbed in the continuum for small
k, reproducing the characteristics of the spin-1 antiferromagnetic Heisenberg chain.
We investigate full dynamical behaviors of the spin-Peierls transition in
S=1/2 Heisenberg antiferromagnetic chains by means of two-time Green's functions. The effect of temperature-dependent lattice displacements is incorporated self-consistently. Depending on temperature T and transfer wave number k, the imaginary part of the dynamical susceptibility ${\ensuremath{\chi}}_{\mathrm{zz}}^{\ensuremath{''}}(k,\ensuremath{\omega})$ shows rich structures: At
T=0, it is nonvanishing in the frequency region ${\ensuremath{\Omega}}_{M}(k)<\ensuremath{\Omega} (\ensuremath{\equiv}\ensuremath{\Elzxh}\ensuremath{\omega}/J)<{\ensuremath{\Omega}}_{H}(k).$ ${\ensuremath{\Omega}}_{M}(k)$ denotes a lower edge of a triplet magnetic excitation continuum, and is finite at
k=0 due to lattice distortion. The upper edge ${\ensuremath{\Omega}}_{H}(k)$ increases as
k=0 is approached, which is completely different from the feature without lattice distortion. An asymmetric line shape of ${\ensuremath{\chi}}_{\mathrm{zz}}^{\ensuremath{''}}(k,\ensuremath{\omega})$ is found with a peak at the frequency slightly higher than ${\ensuremath{\Omega}}_{M}(k).$ At
0<T<TSP (spin-Peierls transition point) there appears another structure due to thermal fluctuations in the lower-frequency region, $0<\ensuremath{\Omega}<{\ensuremath{\Omega}}_{L}(k).$ Since ${\ensuremath{\Omega}}_{L}(k)<{\ensuremath{\Omega}}_{M}(k),$ the forbidden band always exists at
T<TSP. Above
TSP, ${\ensuremath{\chi}}_{\mathrm{zz}}^{\ensuremath{''}}(k,\ensuremath{\omega})$ reduces to a smooth curve characterized by a single broad maximum. These features in dynamics are systematically explained in terms of different quasiparticle scattering processes proper to the spin-Peierls phase. The results are compared with recent experimental data of neutron scattering for the inorganic compound
CuGeO3.The natural explanation of the excitation spectrum of the spin-1 antiferromagnetic Heisenberg chain is given from the viewpoint of the spin-1/2 ferromagnetic-antiferromagnetic alternating Heisenberg chain. The energy spectrum of the latter is calculated with fixed momentum k by numerical diagonalization of finite size systems. It consists of a branch of propagating triplet pair (triplet wave) and the continuum of multiple triplet waves for weak ferromagnetic coupling. As the ferromagnetic coupling increases, the triplet wave branch is absorbed in the continuum for small k, reproducing the characteristics of the spin-1 antiferromagnetic Heisenberg chain.
The thermal evolution of equal-time spin correlations in the antiferromagnetic isotropic spin-1/2 Heisenberg chain is examined by full exact diagonalization of a ten-site periodic cluster. The calculation retains the complete spectrum and evaluates canonical ensemble averages without decoupling approximations. Correlations through the maximum independent separation are reported over 0.10 ≤ kBT/J ≤ 5. The low-temperature state displays the expected alternating antiferromagnetic pattern and appreciable correlations across the finite ring. Heating suppresses the magnitude of every nonlocal correlator, with longer-range terms disappearing first. The nearest-neighbour correlation approaches the high-temperature limit continuously, while an effective finite-cluster correlation length falls rapidly around kBT/J of order unity. Low- and high-temperature consistency checks, SU (2) symmetry, and comparison with Bethe-ansatz expectations are used to validate the computation. The results provide a compact reproducible reference for interpreting thermal loss of short-range order, while clearly separating finite-size numerical evidence from thermodynamic-limit conclusions.