Related papers: Band offsets at the crystalline/amorphous silicon …
Perovskite solar cells (PSCs) based on methylammonium lead iodide (MAPbI3) exhibit remarkable photovoltaic performance, where interface engineering with hole transport layers (HTLs) is crucial for optimizing charge transfer and device…
Hydrogenated amorphous silicon (a-Si:H) is a material having an intrinsically high radiation hardness that can be deposited on flexible substrates like Polyimide. For these properties a-Si:H can be used for the production of flexible…
We demonstrate comprehensive numerical studies on a hybrid III-V/Si-based waveguide system, serving as a platform for efficient light coupling between an integrated III-V quantum dot emitter to an on-chip quantum photonic integrated circuit…
The effect of an atomically sharp impenetrable interface on the spin splitting of the spectrum of two-dimensional electrons in heterostructures based on (001) III-V compounds has been analyzed. To this end, the single band Hamiltonian…
Using a representative translational dimer model, high throughput calculations are implemented for fast screening of a total of 74 diacenaphtho-extended heterocycle (DAH) derivatives as hole transport layer (HTL) materials in perovskite…
Using first-principles pseudopotential method and Boltzmann transport theory, we give a comprehensive understanding of the electronic and phonon transport properties of thermoelectric material BiCuSeO. By choosing proper hybrid functional…
The band structure and electronic properties in a series of vinylene-linked heterocyclic conducting polymers are investigated using density functional theory (DFT). In order to accurately calculate electronic band gaps, we utilize hybrid…
The Bi/Si(111) (sqrt{3} x sqrt{3})R30 trimer phase offers a prime example of a giant spin-orbit splitting of the electronic states at the interface with a semiconducting substrate. We have performed a detailed angle-resolved photoemission…
Recent high-resolution absorption spectroscopy on excited excitons in cuprous oxide [Nature (London) 514, 343 (2014)] has revealed significant deviations of their spectrum from that of the ideal hydrogen-like series. Here we show that the…
The dynamics of charge carriers in amorphous semiconductors fundamentally differ from those in crystalline semiconductors due to the lack of long-range order and the high defect density. Despite intensive technology-driven research…
First-principles calculations demonstrate the evolution of the band alignment at La0.7A0.3MnO3|La1-xAx|TiO2|SrTiO3(001) heterointerfaces, where A = Ca, Sr, or Ba, as the interfacial A-site composition, La1-Ax, is varied from x = 0.5 to x =…
We introduce a real-space approach to understand the relationship between optical absorption and crystal structure. We apply this approach to alternative phases of silicon, with a focus on the Si$_{20}$ crystal phase as a case study. We…
The linear band dispersion of graphene's bands near the Fermi level gives rise to its unique electronic properties, such as a giant carrier mobility, and this has triggered extensive research in applications, such as graphene field-effect…
We show that for graphene with any finite difference in the on-site energy between the two sub-lattices ($\Delta$), The optical absorption edge is determined by the $\Delta$. The universal conductance will be broken and the conductance near…
We present a contactless method that is capable of characterizing a high electron mobility transistor heterostructure at the wafer stage, right after its growth, before any production process has been attempted, to provide the equilibrium…
Epitaxially-grown semiconductor heterostructures give the possibility to tailor the potential landscape for the carriers in a very controlled way. In planar lattice-matched heterostructures, the potential has indeed a very simple and easily…
Adsorption of organic molecules on well-oriented single crystal coinage metal surfaces fundamentally affects the energy distribution curve of ultra-violet photoelectron spectroscopy spectra. New features not present in the spectrum of the…
Non-radiative recombination processes are the biggest hindrance to approaching the radiative limit of the open-circuit voltage for wide-band gap perovskite solar cells. In addition, to high bulk quality, good interfaces and good energy…
Band structures of electrons in a periodic potential are well-known to host topologies that impact their behaviors at edges and interfaces. The concept however is more general than the single-electron setting. In this work, we consider…
Optical properties of multilayer semi-conductor nano-emitters are crucially dependent on the relative energy levelsof their different components. For core/shell quantum dots, the relative energy difference between conduction bandedge of…