We provide an introduction to Gaussian process regression (GPR) machine-learning
methods in computational materials science and chemistry. The focus of the present review …

▪ Abstract Hydrogen strongly affects the properties of electronic materials. Interstitial
monatomic hydrogen is always electrically active and usually counteracts the prevailing …

We present ab initio quantum-mechanical molecular-dynamics simulations of the liquid-
metal–amorphous-semiconductor transition in Ge. Our simulations are based on (a) finite …

Luminescence and related investigations of recombination in hydrogenated amorphous
silicon prepared by glow discharge and sputtering are described. Emphasis is given to a …

Abstract Preface; Acknowledgements; Part I. Crystalline Solids: 1. Atomic structure of
crystals; 2. The single-particle approximation; 3. Electrons in crystal potential; 4. Band …

Ion-beam-induced amorphization in Si has attracted significant interest since the beginning
of the use of ion implantation for the fabrication of Si devices. A number of theoretical …

The present state of research on the structure of amorphous silicon monoxide (SiO) is
reviewed. The black, coal-like modification of bulk SiO is studied by a combination of …

Thick amorphous Si layers have been prepared by MeV self-ion-implantation and the
thermodynamic and structural properties examined by calorimetry, Raman-spectroscopy …

The correlation between the density of dangling-bond defects and the slope of the Urbach
tail in hydrogenated amorphous silicon is examined. It is shown that this correlation can be …

An amorphous silicon structure is obtained with a computer simulation based on a new
moleculardynamics technique in which the interatomic potential is derived from a parameter …