The gapless energy spectrum and spin-Peierls instability of 1D Heisenberg spin systems in polymeric complexes of transition metals and hypothetical carbon allotropes

Abstract

Abstract We investigate the spin-Peierls instability of some periodic 1D Heisenberg spin systems having a gapless energy spectrum at different values of coupling J between the unit cells. Using the density-matrix renormalization group method we numerically study the dependence of critical exponents p  of spin-Peierls transition of above spin systems on the value of J. In contrast to chain systems, we find significantly non-monotonous dependence p (J) for three-legs ladder system. In the limit of weak coupling J we derive effective spin s chain Hamiltonians describing the low-energy states of the system considered by means of perturbation theory. The value of site spin s coincides with the value of the ground-state spin of the isolated unit cell of the system considered. This means that at small J values all the systems with the singlet ground state and the same half-integer value of s should have a similar critical behavior which is in agreement with our numerical study. The presence of gapped excitations inside the unit cells at small values of J should give, for our spin systems, at least one intermediate plateau in field dependence of magnetization at low temperatures. The stability of this plateau against the increase of the values of J and temperature is studied using the quantum Monte-Carlo method.