52 citations · 166 across the 9 of their papers we have counts for
4 papers · 1 filter
Electronic Structure of Dangling Bonds in Amorphous Silicon Studied via a Density-Matrix Functional Method
R. G. Hennig, P. A. Fedders, A. E. Carlsson
A structural model of hydrogenated amorphous silicon containing an isolated dangling bond is used to investigate the effects of electron interactions on the electronic level splitt…
Structure of the icosahedral Ti-Zr-Ni quasicrystal
R. G. Hennig, K. F. Kelton, A. E. Carlsson +1
The atomic structure of the icosahedral Ti-Zr-Ni quasicrystal is determined by invoking similarities to periodic crystalline phases, diffraction data and the results from ab initio…
The influence of surface stress on dislocation emission from sharp and blunt cracks in f.c.c. metals
J. Schiotz, A. E. Carlsson
We use computer simulations to study the behavior of atomically sharp and blunted cracks in various f.c.c. metals. The simulations use effective medium potentials which contain man…
Calculation of Elastic Green's Functions for Lattices with Cavities
J. Schiøtz, A. E. Carlsson
In this Brief Report, we present an algorithm for calculating the elastic Lattice Greens Function of a regular lattice, in which defects are created by removing lattice points. The…