Atomically precise manufacturing (APM) is a key technique that involves the direct control of
atoms in order to manufacture products or components of products. It has been developed …

In this work, we demonstrate a form of minority carrier degradation on n-type Cz silicon that
affects both the bulk and surface related lifetimes. We identify three key behaviors of the …

Hydrogen is a ubiquitous impurity in diamond but in contrast to other group IV materials the
microscopic structure adopted in bulk material has largely remained elusive. It has therefore …

The properties of vacancy aggregates in crystalline silicon are studied using density-
functional-based molecular-dynamics simulations in large periodic supercells as well as …

This paper presents a model for the introduction and redistribution of hydrogen in silicon
solar cells at temperatures between 300 and 700 C based on a second order backwards …

With nanoelectronics reaching the limit of atom-sized devices, it has become critical to
examine how irregularities in the local environment can affect device functionality. Here, we …

Empirical tight binding has proven to be very popular in recent years on account of its
computational efficiency and accuracy. However, it has limitations, notably the difficulties …

In order to investigate the role of hydrogen in amorphous silicon (a-Si), hydrogenated
amorphous silicon layers have been prepared by ion implantation at different H …

The interstitial copper ion (Cu i+) is a very fast-diffusing impurity in Si. While the isolated
interstitial is a shallow donor, it reacts with impurities and defects and these reactions affect …

Molecular dynamics simulations as well as ab initio and near ab initio Hartree-Fock
calculations in crystalline silicon predict that the configuration of the hexavacancy that has a …