Details

Autor(en) / Beteiligte

• Ferrer, J
• Lambert, C J
• García-Suárez, V M
• Manrique, D Zs
• Visontai, D
• Oroszlany, L
• Rodríguez-Ferradás, R
• Grace, I
• Bailey, S W D
• Gillemot, K
• Sadeghi, Hatef
• Algharagholy, L A

Titel

GOLLUM: a next-generation simulation tool for electron, thermal and spin transport

Ist Teil von

• New journal of physics, 2014-09, Vol.16 (9), p.93029-66

Ort / Verlag

Bristol: IOP Publishing

Erscheinungsjahr

2014

Link zum Volltext

Quelle

EZB Electronic Journals Library

Beschreibungen/Notizen

• 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.