Abstract

We carry out density matrix renormalization group (DMRG) calculations to studyπ-topology and spinalignment of an organic π-conjugated spin system in the Hubbard model. We discuss the spincorrelation, the energy gap and the lattice configuration in half-filled anddoped systems. It is confirmed that electronic doping can alter the spin state,and the spin alignment is influenced by the parity of the total site numberN. The electron–electron interaction is in favour of the ferromagneticstability of the system. For the hall-filled odd case and the hole-doped evencase, there exist strong ferromagnetic correlation and large energy gap inπ-conjugated spin systems.

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