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

Ferrer, J. and Lambert, Colin and Garcia-Suarez, V. M. and Manrique, D. Zs and Visontai, D. and Oroszlany, L. and Rodriguez-Ferradas, R. and Grace, I. and Bailey, S. W. D. and Gillemot, K. and Sadeghi, Hatef and Algharagholy, L. A. (2014) GOLLUM : a next-generation simulation tool for electron, thermal and spin transport. New Journal of Physics, 16 (9): 093029. ISSN 1367-2630

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Abstract

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.