Recursive Green's function method for multi-terminal nanostructures

DOI10.1016/J.JCP.2013.12.054MaRDI QIDQ348821zbMATH OpenOpenAlexFDO

Authors G. Thorgilsson, G. Viktorsson, S. I. Erlingsson

Publication date 5 December 2016

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1305.7363

zbMATH Keywords

transportmulti-terminal nanostructuresrecursive Green's function method

Mathematics Subject Classification ID

Numerical methods for integral transforms (65R10) Statistical mechanics of nanostructures and nanoparticles (82D80)

Abstract: We present and review an efficient method to calculate the retarded Green's function in multi-terminal nanostructures; which is needed in order to calculate the conductance through the system and the local particle densities within it. The method uses the recursive Green's function method after the discretized Hamilton matrix has been properly partitioned. We show that this method, the circular slicing scheme, can be modified to accommodate multi-terminal systems as well as the traditional two-terminal systems. Furthermore, we show that the performance and robustness of the circular slicing scheme is on par with other advanced methods and is well suited for large variety of multi-terminal geometries. We end by giving an example of how the method can be used to calculate transport in a non-trivial multi-terminal geometry.

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Cites work

• scientific article; zbMATH DE number 3008220 (Why is no real title available?)
• Optimal block-tridiagonalization of matrices for coherent charge transport
• Parallel implementation of the recursive Green's function method

Cited in

(4)

• scientific article; zbMATH DE number 5863500 (Why is no real title available?)
• Determining Transport Properties of Complex Multiterminal Systems: S‐Matrix of General Tight‐Binding Periodic Leads
• Improved recursive Green's function formalism for quasi one-dimensional systems with realistic defects
• Improvements on non-equilibrium and transport Green function techniques: the next-generation Transiesta

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