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RESEARCH PRODUCT

The behavior of correlation functions in trans-polyacetylene: quantum Monte Carlo study

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We present results of a quantum Monte Carlo simulation of the one-dimensional half-filled Hubbard model to study different correlation functions in the trans-polyacetylene (t-PA) polymer. Magnetic structure of the model in t-PA is studied for a different range values of the Hubbard repulsion interactions, U and V ,w here U 4t , with V ∈[ U/2 ,U ] (t is the hopping matrix elements). In this work, we investigate the behavior of the magnetic correlation functions for different phases transitions between different ordering (antiferromagnetic and ferromagnetic) by varying the nearest-neighbor interactions U and V between different atomic sites. Our results indicate that there is a presence of a substantial delocalization of the electrons for a specified sets of correlation parameters. This feature, represented by the magnetic local moment observable reflects the influence of both (U, V ) and quantum fluctuations. The behavior of the magnetic susceptibility is confirmed and interpreted by the calculation of the specific heat versus the inverse temperature for different mentioned regimes.  2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.