Related papers: Heterointerface potentials in the effective-mass a…
Van der Waals heterostructures comprise a new class of artificial materials formed by stacking atomically-thin planar crystals. Here, we demonstrate band structure engineering of a van der Waals heterostructure composed of a monolayer…
We demonstrate that a high-dimensional neural network potential (HDNNP) can predict the lattice thermal conductivity of semiconducting materials with an accuracy comparable to that of density functional theory (DFT) calculation. After a…
Heterostructures of wurtzite based devices have attracted great research interests since the tremendous success of GaN in light emitting diodes (LED) industry. Among the possible heterostructure material candidates, high quality GaN thin…
Semiconducting two-dimensional materials and their heterostructures gained a lot of interest for applications as well as fundamental studies due to their rich optical properties. Assembly in van der Waals heterostacks can significantly…
Anharmonicity of the inter-atomic potential is taken into account for the quantitative simulation of the conduction and valence band offsets for highly-strained semiconductor heterostructures. The anharmonicity leads to a weaker compressive…
When two-dimensional atomic layers of different materials are brought into close proximity to form van der Waals (vdW) heterostructures, interactions between adjacent layers significantly influence their physicochemical properties. These…
By introducing a superconducting gap in Weyl- or Dirac semi-metals, the superconducting state inherits the non-trivial topology of their electronic structure. As a result, Weyl superconductors are expected to host exotic phenomena such as…
Energies and transition probabilities of K$\beta$ hypersatellite lines are computed using the Dirac-Fock model for several values of $Z$ throughout the periodic table. The influence of the Breit interaction on the energy shifts from the…
We propose an analytical approach to high-harmonic generation (HHG) for nonperturbative low-frequency and high-intensity fields based on the (Jeffreys-)Wentzel-Kramers-Brillouin (WKB) approximation. By properly taking into account Stokes…
Epsilon near zero (ENZ) conditions have been observed to enhance superconducting properties of a composite metamaterial based on random mixing of superconductor and ferroelectic nanoparticles. Here we analyse several other promising…
We introduce an approach to derive realistic Coulomb interaction terms in free standing layered materials and vertical heterostructures from ab-initio modelling of the corresponding bulk materials. To this end, we establish a combination of…
We perform a mean-field study of the phase diagram of interacting Weyl semimetals with broken parity, that is, with different densities of right- and left-handed quasiparticles. As a simple model system, we consider the Wilson-Dirac…
High quality-factor (Q) dielectric metasurfaces operating in the visible to near-infrared range usually require sub-200 nm features, limiting their fabrication to expensive, low-throughput electron beam lithography. Here, we demonstrate…
The quantization of Hall conductance in a p-type heterojunction with lateral surface quantum dot superlattice is investigated. The topological properties of the four-component hole wavefunction are studied both in r- and k-spaces. New…
The structural and electronic properties of zinc-blende (ZB) GaAs were calculated within the framework of plane wave density-functional theory (DFT) code JDFTx by using Becke 86 in 2D and PBE exchange correlation functionals from libXC. The…
Ultrawide bandgap (UWBG) semiconductors exhibit exceptional electrical and thermal properties, offering strong potential for high power and high frequency electronics. However, efficient doping in UWBG materials is typically limited to…
The role of the interface potential on the effective mass of charge carriers is elucidated in this work. We develop a new theoretical formalism using a spatially dependent effective mass that is related to the magnitude of the interface…
We report the phase diagram of interpenetrating Hertzian spheres. The Hertz potential is purely repulsive, bounded at zero separation, and decreases monotonically as a power law with exponent 5/2, vanishing at the overlapping threshold.…
The prospect of coupling a two-dimensional (2D) semiconductor heterostructure to a superconductor opens new research and technology opportunities, including fundamental problems in mesoscopic superconductivity, scalable superconducting…
Low-dimensional metal halide perovskites provide exciting opportunities to fabricate new semiconductor materials. Semiconductor technology relies on electronic heterojunctions, and cost-efficient and flexible approaches to realize…