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

TL;DR

GOLLUM is a versatile simulation tool designed to accurately model electrical, spin, and thermal transport in complex nanostructures, addressing recent challenges in nanoscale transport phenomena.

Contribution

The paper introduces GOLLUM, a comprehensive, multi-scale, multi-terminal simulation tool that incorporates advanced functionalities like non-collinear magnetism and quantum effects for nanoscale transport.

Findings

Demonstrates charge, spin, and thermal transport calculations.

Includes corrections to density functional theory like LDA+U.

Models complex phenomena such as Kondo effect and quantum Hall.

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 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.