The concept of valley originates from two degenerate but nonequivalent energy bands at the
local minimum in the conduction band or local maximum in the valence band. Manipulating …

We present novel methods implemented within the non-equilibrium Green function code
(NEGF) transiesta based on density functional theory (DFT). Our flexible, next-generation …

Close to a magical angle, twisted bilayer graphene (TBLG) systems exhibit isolated flat
electronic bands and, accordingly, strong electron localization. TBLGs have hence been …

In this paper, we theoretically investigate the manipulation of valley-polarized currents and
the optical-like behaviours of Dirac fermions in graphene with single line defect. After the …

The Green's function method has applications in several fields in Physics, from classical
differential equations to quantum many-body problems. In the quantum context, Green's …

We explore the influence of strain on the valley-polarized transmission of graphene by
employing the wave-function matching and the non-equilibrium Green's function technique …

This review is devoted to the different techniques that have been developed to compute the
coherent transport properties of quantum nanoelectronic systems connected to electrodes …

We propose a method by which the quantization of the Hall conductance can be directly
measured in the transport of a one-dimensional atomic gas. Our approach builds on two …

Minimising the phonon thermal conductance of self‐assembled molecular films, whilst
preserving their electrical properties, is highly desirable, both for thermal management at the …

We present a numerically efficient technique to evaluate the Green's function for extended
two-dimensional systems without relying on periodic boundary conditions. Different regions …