Abstract
Simulation of quantum carrier transport in nanodevices with non-equilibrium Green's function approach is computationally very challenging. One major part of the computational burden is the calculation of self-energy matrices. The calculation in tight-binding schemes usually requires dealing with matrices of the size of a unit cell in the leads. Since a unit cell always consists of several planes (for example, in silicon nanowire, four atomic planes for [100] crystal orientation and six for [111] and [112]), we show in this paper that a condensed Hamiltonian matrix can be constructed with reduced dimension (∼ 1 / 4 of the original size for [100] and ∼ 1 / 6 for [111] and [112] in the nearest neighbor interaction) and thus greatly speeding up the calculation. Examples of silicon nanowires with sp 3 d 5 s * basis set and the nearest neighbor interaction are given to show the accuracy and efficiency of the proposed methods. © 2012 American Institute of Physics.
Recommended Citation
J. Z. Huang et al., "Methods For Fast Evaluation Of Self-energy Matrices In Tight-binding Modeling Of Electron Transport Systems," Journal of Applied Physics, vol. 112, no. 1, article no. 013711, American Institute of Physics, Jul 2012.
The definitive version is available at https://doi.org/10.1063/1.4732089
Department(s)
Electrical and Computer Engineering
International Standard Serial Number (ISSN)
0021-8979
Document Type
Article - Journal
Document Version
Final Version
File Type
text
Language(s)
English
Rights
© 2024 American Institute of Physics, All rights reserved.
Publication Date
01 Jul 2012
Comments
Research Grants Council, University Grants Committee, Grant 711508