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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
| Dokumentenart | Artikel | ||||||
| Titel eines Journals oder einer Zeitschrift | Journal 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 | ||||||
| Datum | 10 Dezember 2009 | ||||||
| Institutionen | Physik > Institut für Theoretische Physik > Lehrstuhl Professor Richter > Arbeitsgruppe Klaus Richter | ||||||
| Identifikationsnummer |
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| Klassifikation |
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| Stichwörter / Keywords | SPARSE 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-Klassifikation | 500 Naturwissenschaften und Mathematik > 530 Physik | ||||||
| Status | Veröffentlicht | ||||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||||
| An der Universität Regensburg entstanden | Ja | ||||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-78289 | ||||||
| Dokumenten-ID | 7828 |
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