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Wimmer, Michael ; Richter, Klaus

Optimal block-tridiagonalization of matrices for coherent charge transport

Wimmer, Michael und Richter, Klaus (2009) Optimal block-tridiagonalization of matrices for coherent charge transport. Journal of Computational Physics 228 (23), S. 8548-8565.

Veröffentlichungsdatum dieses Volltextes: 05 Aug 2009 13:57
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.7828


Zusammenfassung

Numerical quantum transport calculations are commonly based on a tight-binding formulation. A wide class of quantum transport algorithms require the tight-binding Hamiltonian to be in the form of a block-tridiagonal matrix. Here, we develop a matrix reordering algorithm based on graph partitioning techniques that yields the optimal block-tridiagonal form for quantum transport. The reordered ...

Numerical quantum transport calculations are commonly based on a tight-binding formulation. A wide class of quantum transport algorithms require the tight-binding Hamiltonian to be in the form of a block-tridiagonal matrix. Here, we develop a matrix reordering algorithm based on graph partitioning techniques that yields the optimal block-tridiagonal form for quantum transport. The reordered Hamiltonian can lead to significant performance gains in transport calculations, and allows to apply conventional two-terminal algorithms to arbitrarily complex geometries, including multi-terminal structures. The block-tridiagonalization algorithm can thus be the foundation for a generic quantum transport code, applicable to arbitrary tight-binding systems. We demonstrate the power of this approach by applying the block-tridiagonalization algorithm together with the recursive Green's function algorithm to various examples of mesoscopic transport in two-dimensional electron gases in semiconductors and graphene. (C) 2009 Elsevier Inc. All rights reserved.



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Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftJournal of Computational Physics
Verlag:ACADEMIC PRESS INC ELSEVIER SCIENCE
Ort der Veröffentlichung:SAN DIEGO
Band:228
Nummer des Zeitschriftenheftes oder des Kapitels:23
Seitenbereich:S. 8548-8565
Datum10 Dezember 2009
InstitutionenPhysik > Institut für Theoretische Physik > Lehrstuhl Professor Richter > Arbeitsgruppe Klaus Richter
Identifikationsnummer
WertTyp
10.1016/j.jcp.2009.08.001DOI
0806.2739arXiv-ID
Klassifikation
NotationArt
72.10.Bg; 02.70.−c; 02.10.OxPACS
Stichwörter / KeywordsSPARSE MATRICES; ANDERSON LOCALIZATION; PARALLEL COMPUTATION; ELECTRON-TRANSPORT; NUMERICAL-ANALYSIS; POINT-CONTACT; ALGORITHMS; CONDUCTIVITY; DECIMATION; GRAPHENE; Coherent quantum transport; Recursive Green's function algorithm; Block-tridiagonal matrices; Matrix reordering; Graph theory
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 530 Physik
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenJa
URN der UB Regensburgurn:nbn:de:bvb:355-epub-78289
Dokumenten-ID7828

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