掺杂Graphene纳米带基分子器件的整流特性

摘要

采用紧束缚方法，研究了Zigzag型和Armchar型Graphene纳米带的能谱结构和电子态分布，得到了相应的带隙和边界态．然后，使用格林函数方法，计算了极／Graphene纳米带／电极三明治结构的分子结的输运性质，并在掺杂的纳米带分子结中得到了整流特性．%We investigate the electronic properties of Graphene Nanoribbon under a tight - binding frame, and further we get the edge state of the Zigzag Ribbon and the band gap of the Archair ribbon. Then, we calculate the transport properties of some devices based on the grapheme nanoribbon combining a Green＇ s function formulism, and we get a rectification in the doped nanoribon.