Spin Dynamics of the One-Dimensional J-J' Model and Spin-Peierls Transition in CuGeO_3

TL;DR

This study investigates the spin dynamics of the one-dimensional J-J' model, revealing strong frustration effects in CuGeO_3 that explain its anomalous properties and comparing results with experimental neutron scattering data.

Contribution

The paper provides a detailed analysis of the dynamical structure factor in the J-J' model, identifying the impact of frustration and coupling parameters on spin-Peierls compounds like CuGeO_3.

Findings

Frustration parameter  in CuGeO_3 is between 0.4 and 0.45.

The coupling J is approximately 180K, consistent with other estimates.

Coupling alternation in CuGeO_3 is extremely small.

Abstract

Spin dynamics as well as static properties of the one-dimensional J-J' model (S=1/2, J>0 and 0\le \alpha=J'/J\le 0.5) are studied by the exact diagonalization and the recursion method of finite systems up to 26 sites. Especially, the dynamical structure factor S(q,\omega) is investigated carefully for various values of \alpha. As \alpha increases beyond the gapless-gapful critical value \alpha_c=0.2411, there appear features definitely different from the Heisenberg model but the same with the Majumdar-Ghosh model. Some of these features depend only on the value of \alpha and not on \delta: a parameter introduced for the coupling alternation. By comparing these results with a recent inelastic neutron scattering spectrum of an inorganic spin-Peierls compound CuGeO_3 [M. Arai et al.: Phys. Rev. Lett. 77 (1996) 3649], it is found that the frustration by J' in CuGeO_3 is unexpectedly strong (\alpha=0.4-0.45), and at least \alpha must be larger than \alpha_c to some extent. The value of J is evaluated at \sim 180K consistent with other estimations. The coupling alternation is extremely small. This large frustration is a primary origin of the various anomalous properties CuGeO_3 possesses. For comparison we refer also to \alpha'-NaV_2O_5.