화학공학소재연구정보센터
Chemical Physics Letters, Vol.421, No.1-3, 210-214, 2006
Real-space treatment of spin-Peierls transitions: Gap equation and magnetic crossover of the linear Heisenberg antiferromagnet
The spin-Peierls transition at T-SP of s = 1/2 Heisenberg antiferromagnetic chains with linear spin-phonon (sp-ph) coupling is modeled by exact solution up to N = 18 spins. Spin correlation alters the relation between T-SP and the singlet-triplet gap, EST, from the free-fermion or mean-field (MF) result by 30%. Direct solution accounts for the transition, spin susceptibility and magnetization of a well-characterized chain of tetrathiafulvalene cation radicals. Strong sp-ph coupling is required for size convergence. Exact analysis conserves total spin, S, while only S-z is conserved in approximate treatments of spinless fermions in infinite chains. (c) 2006 Elsevier B.V. All rights reserved.