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cond-mat.mtrl-sci2005
Evolution of magnetism of Cr nanoclusters on a Au(111) surface
H. J. Gotsis, Nicholas Kioussis, D. A. Papaconstantopoulos
We have carried out collinear and non-collinear electronic structure calculations to investigate the structural, electronic and magnetic properties of isolated Cr atoms, dimers and…
cond-mat.mtrl-sci2002
Hydrogen-induced Unzipping of Single-Walled Carbon Nanotubes
Henry Scudder, Gang Lu, Nicholas Kioussis
The chemisorption of atomic hydrogen on the single-walled armchair carbon nanotube is studied with ab initio calculations. A single H atom is found to be chemisorbed on both the in…
cond-mat.mtrl-sci1999
A Critical Reexamination of the Peierls-Nabarro Model
Gang Lu, Nicholas Kioussis, Vasily V. Bulatov +1
We reexamine two essential issues within the Peierls-Nabarro model which are critical in obtaining accurate values for the Peierls stress. The first issue is related to the samplin…