GOLLUM: a next-generation simulation tool for electron, thermal and spin transport
| Autor: | Steven Bailey, Hatef Sadeghi, Jaime Ferrer, D. Zs. Manrique, Laith A. Algharagholy, László Oroszlány, Víctor M. García-Suárez, Katalin Gillemot, Colin J. Lambert, R. Rodriguez-Ferradas, Iain Grace, Dávid Visontai |
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| Přispěvatelé: | Ministerio de Economía y Competitividad (España), European Commission, Engineering and Physical Sciences Research Council (UK), Hungarian Scientific Research Fund |
| Rok vydání: | 2015 |
| Předmět: |
Physics
Gollum Superconductivity Condensed Matter - Mesoscale and Nanoscale Physics biology Condensed matter physics Magnetism General Physics and Astronomy Coulomb blockade FOS: Physical sciences Electron biology.organism_classification Condensed Matter::Mesoscopic Systems and Quantum Hall Effect Mesoscale and Nanoscale Physics (cond-mat.mes-hall) Density functional theory Quantum Spin-½ |
| Zdroj: | Digital.CSIC. Repositorio Institucional del CSIC instname RUO. Repositorio Institucional de la Universidad de Oviedo |
| DOI: | 10.48550/arxiv.1502.04966 |
| Popis: | Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence.-- et al. We have developed an efficient simulation tool 'GOLLUM' for the computation of electrical, spin and thermal transport characteristics of complex nanostructures. The new multi-scale, multi-terminal tool addresses a number of new challenges and functionalities that have emerged in nanoscale-scale transport over the past few years. To illustrate the flexibility and functionality of GOLLUM, we present a range of demonstrator calculations encompassing charge, spin and thermal transport, corrections to density functional theory such as local density approximation +U (LDA+U) and spectral adjustments, transport in the presence of non-collinear magnetism, the quantum Hall effect, Kondo and Coulomb blockade effects, finite-voltage transport, multi-terminal transport, quantum pumps, superconducting nanostructures, environmental effects, and pulling curves and conductance histograms for mechanically-controlled break-junction experiments. The research presented here was funded by the Spanish Ministerio de Economía y Competitividad through the grant FIS2012–34858, by UK EPSRC grants EP/K001507/1, EP/J014753/1, EP/H035818/1, and by the European Union Marie-Curie Network ‘MOLESCO’. VMGS thanks the Spanish Ministerio de Economía y Competitividad for a Ramón y Cajal fellowship (RYC-2010–06053). LO has been supported by the Hungarian Scientic Research Fund No. K108676. |
| Databáze: | OpenAIRE |
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