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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.
The angular dependence of the thermal transport in insulating or conducting ferromagnets is derived on the basis of the Onsager reciprocity relations applied to a magnetic system. It is shown that the angular dependence of the temperature gradient ta
We present novel methods implemented within the non-equilibrium Green function code (NEGF) transiesta based on density functional theory (DFT). Our flexible, next-generation DFT-NEGF code handles devices with one or multiple electrodes ($N_ege1$) wit
Nonlinear charge transport in strongly coupled semiconductor superlattices is described by Wigner-Poisson kinetic equations involving one or two minibands. Electron-electron collisions are treated within the Hartree approximation whereas other inelas
We present a theoretical study of spin-dependent transport through a ferromagnetic domain wall. With an increase of the number of components of the exchange coupling, we have observed that the variance of the conductance becomes half. As the strength
In this article we extend the currently established diffusion theory of spin-dependent electrical conduction by including spin-dependent thermoelectricity and thermal transport. Using this theory, we propose new experiments aimed at demonstrating nov