• 文献标题:   Electronic transport of a large scale system studied by renormalized transfer matrix method: Application to armchair graphene nanoribbons between quantum wires
  • 文献类型:   Article
  • 作  者:   GAO M, ZHANG GP, LU ZY
  • 作者关键词:   graphene, electronic transport, renormalized transfer matrix method, optimized gauss elimination scheme, numerical stability
  • 出版物名称:   COMPUTER PHYSICS COMMUNICATIONS
  • ISSN:   0010-4655 EI 1879-2944
  • 通讯作者地址:   Renmin Univ China
  • 被引频次:   7
  • DOI:   10.1016/j.cpc.2013.12.006
  • 出版年:   2014

▎ 摘  要

Study on the electronic transport of a large scale two dimensional system by the transfer matrix method (TMM) based on the Schrodinger equation suffers from numerical instability. To address this problem, we propose a renormalized transfer matrix method (RTMM) by setting up a set of linear equations from U times of multiplication of traditional transfer matrix (U = N/S with N and S respectively being the atom number of length and the transfer steps), and smaller S is required for a wider system. Then we solve the above linear equations by Gaussian elimination method and further optimize to reduce the computational complexity from O((UM3)-M-3) to O(UM3), in which M is the atom number of the width. Applying the RTMM, we study transport properties of large scale pure and long-range correlated disordered armchair graphene nanoribbons (AGR) (carbon atoms up to 10(6) for pure cases) between quantum wire contacts. For a pure AGR, the conductance is superlinear with the Fermi energy, and linear with the width while independent of the length, showing characteristics of ballistic transport. For a disordered AGR with long-range correlation, there is a metal-insulator transition induced by the correlation strength of disorder. It is straightforward to extend the RTMM to investigate the electronic transports of large scale systems with various structures. (C) 2013 Elsevier B.V. All rights reserved.