【摘要】 根据建立在电子 声子相互作用基础上的Peierls相变理论 ,利用形变势模型和半经验晶体轨道方法计算的能带结构数据 ,对一维有机导体tetrathiafulvalene tetracyanoquinodimethane的Peierls相变温度进行了计算 .并对其金属 绝缘体相变机制进行了讨论更多还原

【Abstract】 According to Peierls phase transition theory based on the electron_phono n inte raction, the Peierls phase transition temperature of a one_dimensional organic conductor tetrathiafulvalene_tetracyanoquinodimethane is computed using the defo rmation potential model with the data calculated by a semi_empirical cryst al orbital method. The mechanism of the metal_insulator phase transition in this conductor is also discussed.更多还原