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

2014; IOP Publishing; Volume: 16; Issue: 9 Linguagem: Inglês

10.1088/1367-2630/16/9/093029

1367-2630

Jaime Ferrer, Colin J. Lambert, Víctor M. García‐Suárez, David Zsolt Manrique, Dávid Visontai, László Oroszlány, Rubén R. Ferradás, Iain Grace, Steven Bailey, Katalin Gillemot, Hatef Sadeghi, Laith A. Algharagholy,

Advancements in Semiconductor Devices and Circuit Design

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 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.