Monte-Carlo phase diagram of a Hubbard-Peierls model in the search for spin crossover transition in $\pi$-conjugated polymers

S. Bhattacharya, M. S. Ferreira, S. Sanvito

We present a Monte Carlo study of the finite temperature properties of an extended Hubbard-Peierls model describing one dimensional $\pi$-conjugated polymers. The model incorporates…