基于改进的SSH模型和弹性力学理论,研究了聚乙炔在单轴拉伸应力形变下的能带结构随应力大小的变化规律.计算结果表明:能带宽度和能隙随拉伸应力的增大而变窄,而能带宽度变化幅度要快于能隙的变化幅度.
Based on the revised SSH model and theory of elasticity, the energy band structure of conjugated polymers under tensile stress was studied. The results showed that both the energy bandwidth and gap became narrower as the stress increased, and the change of bandwidth was faster than that of the gap.