Related papers: An Atomistically Informed Device Engineering (AIDE…
Chemical disorder, originating from the mixed occupation of crystallographic sites by multiple elements, is widespread in alloys, ceramics, and compositionally complex materials, where short- and long-range orderings can strongly influence…
The mobility of graphene is very high because the quantum Hall effects can be observed even at room temperature. Graphene has the potential of the material for novel devices because of this high mobility. But the energy gap of graphene is…
An appropriately parameterized compact analytical equation (APAE) is suggested to account for charge carrier mobility in organic disordered semiconductors (ODSs). This equation correctly reproduces the effects of temperature $T$, carrier…
We present detailed simulations addressing recent electronic interference experiments, where a metallic gate is used to locally modify the Fermi wave-length of the charge carriers. Our numerical calculations are based on a solution of the…
Adaptive finite element methods are a powerful tool to obtain numerical simulation results in a reasonable time. Due to complex chemical and mechanical couplings in lithium-ion batteries, numerical simulations are very helpful to…
We complete our earlier (Phys. Rev. B, {\bf 66}, 134435 (2002)) study of the electronic structure, exchange interactions and Curie temperature in (GaMn)As and extend the study to two other diluted magnetic semiconductors (GaCr)As and…
The remarkable electronic properties of graphene have fueled the vision of a graphene-based platform for lighter, faster and smarter electronics and computing applications. One of the challenges is to devise ways to tailor its electronic…
Quantum dots have found applications across the semiconductor and biotechnology industries, improving energy efficiency, color purity, and imaging capability. However, the standard quantum dot relies on a heavy metal architecture, which has…
The discrepancies between reality and simulation impede the optimisation and scalability of solid-state quantum devices. Disorder induced by the unpredictable distribution of material defects is one of the major contributions to the reality…
We evaluated the effect of the laser-induced acoustic desorption (LIAD) process on thermally stable and unstable biomolecules. We found that the thermally labile glycine molecule fragmented following desorption via LIAD, due to the…
Covalent amorphous semiconductors, such as amorphous silicon (a-Si) and germanium (a-Ge), are commonly believed to have localized electronic states at the top of the valence band and the bottom of the conduction band. Electrical…
Focused electron beam induced deposition (FEBID) is a powerful technique for 3D-printing of complex nanodevices. However, for resolutions below 10 nm, it struggles to control size, morphology and composition of the structures, due to a lack…
We have performed accurate \emph{ab--initio} pseudopotential calculations for the structural and electronic properties of ZnSe/GaAs(001) heterostructures with interface configurations accounting for charge neutrality prescriptions. Beside…
Copper(I) iodide, CuI, is the leading $p$-type non-toxic and earth-abundant semiconducting material for transparent electronics and thermoelectric generators. Defects play a crucial role in determining the carrier concentration, scattering…
Using ab-initio calculations, we study the electronic structure of gallium-doped germanium, which was found recently to be a superconductor, with a critical temperature of 0.5 Kelvins, and a particularly low density of Cooper pairs. The…
We show that the plasmon spectrum of an ordinary two-dimensional electron gas (2DEG) hosted in a GaAs heterostructure is significantly modified when a graphene sheet is placed on the surface of the semiconductor in close proximity to the…
Low-loss optical communication requires light sources at 1.5um wavelengths. Experiments showed without much theoretical guidance that InAs/GaAs quantum dots (QDs) may be tuned to such wavelengths by adjusting the In fraction in an…
One of the ultimate goals of the study of iron-based superconductors is to identify the common feature that produces the high critical temperature (Tc). In the early days, based on a weak-coupling viewpoint, the nesting between hole- and…
The extreme sensitivity of 2D materials to defects and nanostructure requires precise imaging techniques to verify presence of desirable and absence of undesirable features in the atomic geometry. Helium-ion beams have emerged as a…
At low energy, electrons in doped graphene sheets behave like massless Dirac fermions with a Fermi velocity which does not depend on carrier density. Here we show that modulating a two-dimensional electron gas with a long-wavelength…