Thermal emission of current carriers from defects in semiconductors has been used as a
characterization technique for over 50 years. One of the most significant early publications …

Germanium is being actively considered by the semiconductor community as a mainstream
material for nanoelectronic applications. Germanium has advantageous materials …

Surface reactions with oxygen are a fundamental cause of the degradation of phosphorene.
Using first-principles calculations, we show that for each oxygen atom adsorbed onto …

We present findings on the structure, energies and behaviour of defects in irradiated
graphitic carbon materials. Defect production due to high-energy nuclear radiations …

Two hydrogen-related defects in ZnO are identified by a combination of local vibrational
mode spectroscopy and first-principles theory. The HI center consists of one hydrogen atom …

The atomic geometry and electronic structure of diamond surfaces, both clean and with
various hydrogen and oxygen terminations, have been studied using ab initio density …

Ab initio cluster and supercell methods are used to investigate the local geometry and
optical properties of hydrogen defects in diamond. For an isolated impurity, the bond …

Recent attempts to make SiC diodes have revealed a problem with stacking fault expansion
in the material, leading to unstable devices. In this paper, we present detailed results from a …

The structure and properties of the {001} planar platelet in diamond are investigated using
ab initio theory. We find that a carbonaceous model, based on a layer of self-interstitials …

Silicon solar cells containing boron and oxygen are one of the most rapidly growing forms of
electricity generation. However, they suffer from significant degradation during the initial …