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Physica B Condensed Matter

Effects of quantum lattice vibration on the spin–Peierls transition

Hiroaki Onishi, Seiji Miyashita

Published Apr 4, 2003• 0 citations
Publisher
DOI
10.1016/s0921-4526(02)02539-5

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We study the spin-Peierls (SP) transition of one-dimensional chain polymeric complexes coupled to lattice by means of many-body Green's function theory. The chain effective elastic constant is an intrinsic factor that determines the order of SP transition. It is found that the SP transition temperature T(SP) and the susceptibility-maximum temperature T(max) are in agreement with the experimental results. When an external magnetic field is applied to the chain, it makes T(SP) and T(max) decrease, and drives the SP transition from the second order to the first order. Besides, we show that the two-site thermal entanglement entropy is a good indicator of SP transition. Further considering the effect of interchain coupling on SP transition, with weak coupling of double-chain, the theoretical values are closer to the experimental results. We also calculate the density of states and spectral functions, which show that the energy gap vanishes at a critical temperature lower than T(SP), indicating a gapless SP phase lies in the gapped dimerized phase. The interchain coupling can drive the SP transition from the second order to the first order, while the SP dimerization may collapse for large interchain couplings.
The effects of electron–electron (e–e) interactions on the two-dimensional (2D) Peierls state are discussed using the 2D Peierls–Hubbard model (2D PHM) in the limit of U ≫ t 0 , where U is the on-site e–e interaction parameter between up and down spin electrons and t 0 is the electron transfer integral between nearest neighbor sites. In this limit, the 2D PHM can be mapped onto the 2D spin-Peierls model (2D SPM) in which the effect of the lattice distortion is taken into account in the spin exchange interaction of the 2D Heisenberg model. As was demonstrated in a previous paper [J. Phys. Soc. Jpn. 69 (2000) 1769], the ground state of the 2D electron–lattice (e–l) system (the 2D 1/2-filled SSH model) is the so-called multimode Peierls state where the lattice distortion involves Fourier components with the nesting wave vector Q =(π/ a ,π/ a ), a being the lattice constant, and with those paralell to it. Using the exact diagonalization technique it is shown that the spin-Peierls transition with a mutlimode lattice distortion can occur in the 2D spin–lattice system similarly as in the 2D e–l system.