GOLLUM: a next-generation simulation tool for electron, thermal and spin transport
J Ferrer and CJ Lambert and VM Garcia-Suarez and DZ Manrique and D Visontai and L Oroszlany and R Rodriguez-Ferradas and I Grace and SWD Bailey and K Gillemot and H Sadeghi and LA Algharagholy, NEW JOURNAL OF PHYSICS, 16, 093029 (2014).
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.
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