Related papers: Interfacial Reconstructions and Engineering in III…
Topological phases play a crucial role in the fundamental physics of light-matter interaction and emerging applications of quantum technologies. However, the topological band theory of waveguide QED systems is known to break down, because…
We study the significance and characteristics of interfacial dynamical charge transfer at metal-organic interfaces for the organic semiconductor model system 1,4,5,8-naphthalene-tetracarboxylic dianhydride (NTCDA) on Ag(111) quantitatively.…
The paper addresses the problem of a Mode III interfacial crack advancing quasi-statically in a heterogeneous composite material, that is a two-phase material containing elastic inclusions, both soft and stiff, and defects, such as…
We demonstrate that the presence of charge around a semiconductor quantum dot (QD) strongly affects its optical properties and produces non-resonant coupling to the modes of a microcavity. We first show that, besides (multi)exciton lines, a…
Interface dipole determines the electronic energy alignment in donor/acceptor interfaces and plays an important role in organic photovoltaics. Here we present a study combining first principles density functional theory (DFT) with…
Topological phases of matter are commonly understood as emerging either from crystalline symmetry and intrinsic spin-orbit coupling or from disorder-driven electronic renormalization. In realistic materials, however, structural defects…
The ab initio simulation of charged interfaces in the framework of density functional theory (DFT) is heavily employed for the study of electrochemical energy conversion processes. The capacitance is the primary descriptor for the response…
Topology provides an essential concept for achieving unchanged (or protected) quantum properties in the presence of perturbations. A challenge facing realistic applications is that the level of protection displayed in real systems is…
Controlling the electronic properties of interfaces has enormous scientific and technological implications and has been recently extended from semiconductors to complex oxides which host emergent ground states not present in the parent…
Double-slit experiments inferring the phase and the amplitude of the transmission coefficient performed at quantum dots (QD), in the Coulomb blockade regime, present anomalies at the phase changes depending on the number of electrons…
Interfaces have long been known to be the key to many mechanical and electric properties. To nickel base superalloys which have perfect creep and fatigue properties and have been widely used as materials of turbine blades, interfaces…
We develop a semiclassical density functional theory in the context of quantum dots. Coulomb blockade conductance oscillations have been measured in several experiments using nanostructured quantum dots. The statistical properties of these…
High Q phase gradient metasurfaces are becoming promising elements for revolutionizing light manipulation but near-field coupling typically forces a trade-off between quality factor and resolution. Here, we show a strategy for not just…
Electron spins in semiconductor devices are highly promising building blocks for quantum processors (QPs). Commercial semiconductor foundries can create QPs using the same processes employed for conventional chips, once the QP design is…
Photocatalysis, a promising solution for environmental challenges, relies on the generation and utilization of photogenerated charge carriers within photocatalysts. However, recombination of these carriers often limits efficiency.…
In this work, we present a computational framework for coupled electro-chemo-(nonlinear) mechanics at the particle scale for solid-state batteries. The framework accounts for interfacial fracture between the active particles and solid…
We apply density functional theory, in the local density approximation, to a quasi-one-dimensional electron gas in order to quantify the effect of Coulomb and correlation effects in modulating, and therefore patterning, the charge density…
Electronic properties of III-V semiconductor alloys are examined using first principles with the focus on the spatial localization of electronic states. We compare localization at the band edges due to various isovalent impurities in a host…
We study 3+1 dimensional $SU(N)$ Quantum Chromodynamics (QCD) with $N_f$ degenerate quarks that have a spatially varying complex mass. It leads to a network of interfaces connected by interface junctions. We use anomaly inflow to constrain…
Interfaces such as grain boundaries in polycrystalline as well as heterointerfaces in multiphase solids are ubiquitous in materials science and engineering. Far from being featureless dividing surfaces between neighboring crystals,…