Gz. Wen et Wp. Su, EFFECTS OF ELECTRON CORRELATION ON DOPING IN CONJUGATED POLYMERS - A STUDY OF THE SSHH AND BKH MODELS USING THE DMRG METHOD, Synthetic metals, 78(3), 1996, pp. 195-200
We adopt the Su-Schrieffer-Heeger (SSH) Hamiltonian supplemented by a
Hubbard term, which we call the SSHH model, for systems with a degener
ate ground state, and the Brazovskii-Kirova (BK) Hamiltonian supplemen
ted by a Hubbard term (BKH model) for systems with a nondegenerate gro
und state, to study the effect of electron correlation on doping in co
njugated polymers. The density matrix renormalization group (DMRG) tec
hnique developed by White has proved to be a very powerful tool for tr
eating low-dimensional systems with strong correlation. This method is
applied to the above models. We first study the metal-insulator trans
ition within the SSHH model. With the BKH model, we investigate the fo
rmation of bipolarons versus separated polarons in a nondegenerate sys
tem. Optical signatures of polarons are also calculated.