Can Quantum Lattice Fluctuations Destroy the Peierls Broken Symmetry Ground State?

The study of bond alternation in one-dimensional electronic systems has had a long history. Theoretical work in the 1930s predicted the absence of bond alternation in the limit of infinitely long conjugated polymers; a result later contradicted by experimental investigations. When this issue was re-examined in the 1950s it was shown in the adiabatic limit that bond alternation occurs for any value of electron-phonon coupling. The question of whether this conclusion remains valid for quantized nuclear degrees of freedom was first addressed in the 1980s. Since then a series of numerical calculations on models with gapped, dispersionless phonons have suggested that bond alternation is destroyed by quantum fluctuations below a critical value of electron-phonon coupling. In this work we study a more realistic model with gapless, dispersive phonons. By solving this model with the DMRG method we show that bond alternation remains robust for any value of electron-phonon coupling

Peierls transition in the quantum spin-Peierls model

We use the density matrix renormalization group method to investigate the role of longitudinal quantized phonons on the Peierls transition in the spin-Peierls model. For both the XY and Heisenberg spin-Peierls model we show that the staggered phonon order parameter scales as $\sqrt{\lambda}$ (and the dimerized bond order scales as $\lambda$) as $\lambda \to 0$ (where $\lambda$ is the electron-phonon interaction). This result is true for both linear and cyclic chains. Thus, we conclude that the Peierls transition occurs at $\lambda=0$ in these models. Moreover, for the XY spin-Peierls model we show that the quantum predictions for the bond order follow the classical prediction as a function of inverse chain size for small $\lambda$. We therefore conclude that the zero $\lambda$ phase transition is of the mean-field type

Structural and Electronic Instabilities in Polyacenes: Density Matrix Renormalization Group Study of a Long--Range Interacting Model

We have carried out Density Matrix Renormalization Group (DMRG) calculations on the ground state of long polyacene oligomers within a Pariser-Parr-Pople (PPP) Hamiltonian. The PPP model includes long-range electron correlations which are required for physically realistic modeling of conjugated polymers. We have obtained the ground state energy as a function of the dimerization $\delta$ and various correlation functions and structure factors for $\delta=0$. From energetics, we find that while the nature of the Peierls' instabilityin polyacene is conditional and strong electron correlations enhance the dimerization. The {\it cis} form of the distortion is favoured over the {\it trans} form. However, from the analysis of correlation functions and associated structure factors, we find that polyacene is not susceptible to the formation of a bond order wave (BOW), spin density wave (SDW) or a charge density wave (CDW) in the ground state.Comment: 31 pages, latex, 13 figure