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A theoretical description for solitons in polyacetylene

The bond-alternation domain walls or the solitons in the dimerized polyacetylene are analyzed theoretically. The width of the soliton is many times the period of the chain, so that the soliton can be reasonably well described by a continuum model. Because of the existence of the bond-alternation domain walls, the electron density is different definitely. Thus the electron density can be used to describe the formation of the domain walls, and a self-trapped potential is discussed and introduced in the Hamiltonian. It is shown that the envelope of the wave functions of the chain is governed by the nonlinear Schrödinger equation which has soliton solutions. Then the shape of the soliton is determined analytically which is in accordance with the numerical calculations by Su, Schrieffer and Heeger. This implies that the bond-alternation domain wall or the soliton is observed as the envelope of the wave function.