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

Ferrer, J. and Lambert, C. J. and Garcia-Suarez, V. M. and Manrique, D. Z. and Visontai, David and Oroszlány, László and Rodriguez-Ferradas, R. and Grace, I. and Bailey, S. W. D. and Gillemot, Katalin Andrea and Sadeghi, H. and Algharagholy, L. A. (2014) GOLLUM: a next-generation simulation tool for electron, thermal and spin transport. NEW JOURNAL OF PHYSICS, 16. ISSN 1367-2630

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Abstract

We have developed an efficient simulation tool ’GOLLUM’ for the computation of electrical, spin and ther- mal 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 calcula- tions encompassing charge, spin and thermal transport, corrections to density functional theory such as 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, supercon- ducting nanostructures, environmental effects and pulling curves and conductance histograms for mechanically- controlled-break-junction experiments.

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