Related papers: Gap labeling theorem for multilayer thin film hete…
Van der Waals (vdW) heterostructures are an emergent class of metamaterials comprised of vertically stacked two-dimensional (2D) building blocks, which provide us with a vast tool set to engineer their properties on top of the already rich…
The notion of a band gap is ubiquitous in the characterization of matter. Particularly interesting are pseudo-gaps, which are enigmatic regions of very low density of states that have been linked to novel phenomena like high temperature…
The absence of an energy gap separating valence and conduction bands makes the low-energy electronic properties of graphene and its multi-layers sensitive to electron-electron interactions. In bilayers, for instance, interactions are…
Preparing an integrable system in a mixed state described by a thermal density matrix , we subject it to a sudden quench and explore the subsequent unitary dynamics. Defining a version of the generalised Loschmidt overlap amplitude (GLOA)…
We study the gate voltage induced gap that occurs in graphene bilayers using \textit{ab initio} density functional theory. Our calculations confirm the qualitative picture suggested by phenomenological tight-binding and continuum models. We…
We present the emergence of gapless surface states in a three-dimensional Chalker-Coddington type network model with spatial periodicity. The model consists of a ring network placed on every face of the cubic unit cells in the simple cubic…
The electronic structure of the CuO monolayer is investigated taking into account the intra- and interatomic Coulomb interactions on copper and oxygen atoms. Local Coulomb interactions and covalence effects are treated exactly when…
The atomic and electronic structure of a set of proposed thin (1.6 nm in diameter) silicon/silica quantum nanodots and nanowires with narrow interface, as well as parent metastable silicon structures (1.2 nm in diameter), was studied in…
At low densities the standard ionisation history of the intergalactic medium (IGM) predicts a decreasing temperature of the IGM with decreasing density once hydrogen (and helium) reionisation is complete. Heating the high-redshift,…
We model a Kohn-Sham potential with a discontinuity at integer particle numbers derived from the GLLB approximation of Gritsenko et al. We evaluate the Kohn-Sham gap and the discontinuity to obtain the quasiparticle gap. This allows us to…
Twisted multilayer moir\'e materials are generically quasiperiodic on the moir\'e scale due to the interference of different misaligned moir\'e periodicities. Spatial inhomogeneities such as these can be detrimental to superconductivity;…
In a recent Letter, Zhao et al. [1] reported the origin of quasi-one-dimensional metal-insulator (MI) transitions in compound semiconductor surfaces. Based on a density-functional theory (DFT) calculation within the generalized gradient…
Quadratic band touching (QBT) points are widely observed in 2D and 3D materials, including bilayer graphene and Luttinger semimetals, and attract significant attention from theory to experiment. However, even in its simplest form, the 2D…
A wide range of materials like graphene, topological insulators and transition metal dichalcogenides (TMDs) share an interesting property: the low energy excitations behave as Dirac particles. This emergent behavior of Dirac quasiparticles…
The search for strong topological phases in generic aperiodic materials and meta-materials is now vigorously pursued by the condensed matter physics community. In this work, we first introduce the concept of patterned resonators as a…
The topological and thermoelectric properties of (EuO)$_{n}$/(MgO)$_{m}$(001) superlattices (SLs) are explored using density functional theory calculations including a Hubbard $U$ term together with Boltzmann transport theory. In…
2D materials have intriguing quantum phenomena that are distinctively different from their bulk counterparts. Recently, epitaxially synthesized wafer-scale 2D metals, composed of elemental atoms, are attracting attention not only for their…
A phase diagram for a quasi-2D metal with variable carrier density has been derived. The phases present are the normal phase, where the order parameter is zero; the pseudogap phase where the absolute value of the order parameter is non-zero…
The physics of localized states in quasiperiodic lattices has been extensively studied for decades, but still lacks an comprehensive theoretical framework. Recently, we developed a incommensurate energy band (IEB) theory, which extends the…
We study the density of states in monolayer and bilayer graphene in the presence of a random potential that breaks sublattice symmetries. While a uniform symmetry-breaking potential opens a uniform gap, a random symmetry-breaking potential…