2013/05/31 by Miao Gao, Guiping Zhang, Gui-Ping Zhang +1
Materials Science · Physics and Astronomy · #Graphene research and applications #Quantum and electron transport phenomena #Surface and Thin Film Phenomena #cond-mat.mes-hall
paper · pdf · doi:10.1016/j.cpc.2013.12.006
published as Comput. Phys. Commun. 185, 856-861 (2014) · 7 pages, 5 figures, and 1 table
openalex publication_date 2013/12/12 · arxiv created 2014/02/11 · arxiv updated 2014/02/12 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Study on the electronic transport of a large scale two dimensional system by the transfer matrix method (TMM) based on the Schördinger equation suffers from the 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/Swith N and S being the atom number of length and the transfer step), and smaller S is required for wider systems. Then we solve the above linear equations by Gauss elimination method and further optimize to reduce the computational complexity from O(U3M3) to O(UM3), in which M is the atom number of the width. Applying RTMM, we study transport properties of large scale pure and long-range correlated disordered armchair graphene nanoribbon (AGR) (carbon atoms up to 106 for pure case) between quantum wire contacts. As for pure AGR, the conductance is superlinear with the Fermi energy and the conductance is linear with the width while independent of the length, showing characteristics of ballistic transport. As for disordered AGR with long-range correlation, there is metal-insulator transition induced by the correlation strength of disorder. It is straightforward to extend RTMM to investigate transport in large scale system with irregular structure.