Related papers: Fermi Level and Light Driven Defect Generation in …
Controlling the contamination of silicon materials by iron, especially dissolved interstitial iron (Fe$_{\mathrm{i}}$), is a longstanding problem with recent developments and several open issues. Among these we have the question whether…
We present new atomistic models of amorphous silicon (a-Si) and hydrogenated amorphous silicon (a-Si:H) surfaces. The a-Si model included 4096 atoms and was obtained using local orbital density functional theory. By analyzing a slab model…
The barrier formation for metal/organic semiconductor interfaces is analyzed within the Induced Density of Interface States (IDIS) model. Using weak chemisorption theory, we calculate the induced density of states in the organic energy gap…
Hydrogenated silicenes possess peculiar properties owing to the strong H-Si bonds, as revealed by an investigation using first principles calculations. The various charge distributions, bond lengths, energy bands, and densities of states…
In materials science, point defects play a crucial role in materials properties. This is particularly well known for the wide band gap insulators where the defect formation/compensation determines the equilibrium Fermi level and generally…
In this contribution, the production of defects in radiation fields and their evolution toward equilibrium in silicon for detector uses has been modelled. In the quantitative model developed, the generation rate of primary defects is…
The band offsets between crystalline and hydrogenated amorphous silicon (a-Si:H) are key parameters governing the charge transport in modern silicon hetrojunction solar cells. They are an important input for macroscopic simulators that are…
In this paper, we explore the effect of H and its bonding configurations on the defect state density and orbital localization of hydrogenated amorphous Si (a-Si:H)/crystalline Si (c-Si) heterostructures using density functional theory (DFT)…
Chemical adsorption of the species at semiconductor surfaces is analyzed showing the existence of the two contributions to adsorption energy: bond creation and charge transfer. It is shown that the energy of quantum surface states is…
We demonstrate a novel type of solar cell, one that uses fixed negative charges, formed at the interface of n-Si with Al2O3, to generate strong inversion at the Si surface by electrostatic repulsion. Built-in voltages of up to 755 mV are…
This study explores the impact of an optimized amorphous silicon (a-Si) buffer layer on AlxIn1-xN-on-Si(100) heterojunction solar cells, with Al content varying from 0% (InN) to 55%. The buffer layer improves the structural quality of the…
The quantitative evaluation of the carbon hybridization state by X-ray photoelectron spectroscopy (XPS) has been a surface-analysis problem for the last three decades due to the challenges associated with the unambiguous identification of…
The influence of oxygen and carbon impurities on the concentrations of defects in silicon for detector uses, in complex fields of radiation, characteristic to high energy physics experiments, is investigated in the frame of the quantitative…
The carbon vacancy in $4H$-SiC is a powerful minority carrier recombination center and a major cause of degradation of SiC-based devices. Despite the extensiveness of the literature regarding the characterization and modeling of the defect,…
The stability and formation mechanism of the defects relevant to silicon and carbon vacancies at the 4H-SiC(000$\bar{1}$)/SiO$_2$ interface after wet oxidation are investigated by first-principles calculation based on the density functional…
Surface defects created and probed with scanning tunneling microscopes are a promising platform for atomic-scale electronics and quantum information technology applications. Using first-principles calculations we demonstrate how to engineer…
We present an ab initio calculation of the DC conductivity of amorphous silicon and hydrogenated amorphous silicon. The Kubo-Greenwood formula is used to obtain the DC conductivity, by thermal averaging over extended dynamical simulation.…
The development of defect populations after proton irradiation of n-type 4H-SiC and subsequent annealing experiments is studied by means of deep level transient (DLTS) and photoluminescence (PL) spectroscopy. A comprehensive model is…
Lead-free halide double perovskites with the formula of quaternary A$_2^+$B'B'$^{3+}$X$_6^-$ have recently attracted intense interest as alternatives to lead-halide-perovskite-based optoelectronic materials for their non-toxicity and…
We have investigated temperature dependence of the longitudinal conductivity $\sigma_{xx}$ at integer filling factors $\nu =i$ for Si/SiGe heterostructure in the quantum Hall effect regime. It is shown that for odd $i$, when the Fermi level…