导电高分子的Wannier函数构造

The Construction of Wannier Functions for Conducting Polymers

由于导电高分子是宽能带体系;对于该体系来说,紧束缚近似下的SSH模型是过于粗糙的。本文对晶格原胞的波函数作了适当的线性组合,给出了导电高分子的Wannier函数。将其应用于一维方势阱模型,结果表明其局域性相当好。

As conducting polymers belong to the system of wide energy band, the SSH model in a state of tight-binding approximation is too crude. In this paper,Wannier functions of conducting polymers are made by the linear combination of the wave function of crystal lattice cell, and then applied to a onedimensional square-well potential model. The results show the local property of the Wannier functions are rather satisfactory.