反式聚乙炔中荷电孤子态的研究

STUDY OF CHARGED SOLITON STATE IN TRANS-POLYACETYLENE

本文以 C_(70)H_(72)^(2+)双荷电孤子体系为模型计算了二荷电孤子相互接近时其间静电库论作用的变化情况,用以讨论掺杂程度不同时反式聚乙炔中荷电孤子间的静电库伦作用。计算结果表明,当杂质浓度超过4%以后.由于荷电孤子间静电库伦作用的明显增大,反式聚乙炔的导电态将由荷电孤子态向极化子态转变,解释了掺杂聚乙炔的奇特电、磁学性质。

In this paper,we study the coulom b interaction among charged solitons in doped trans-polyacetylene.The computing result shows that because the coulomb interaction among charged solitons increases with the increase of doping level,the conducting state in trans- polyacetylene will changes from soliton state to polaron state,when the doping level is over 4- 5mol%.