5 papers
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…
Tuning the magnetism of ordered and disordered strongly-correlated electron nanoclusters
N. Kioussis, Y. Luo, C. Verdozzi
Recently, there has been a resurgence of intense experimental and theoretical interest on the Kondo physics of nanoscopic and mesoscopic systems due to the possibility of making ex…
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…
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…
Precursor of Non-Fermi Liquid Behaviour in the One-Dimensional Periodic Anderson Model with Disorder
Feng Chen, Nicholas Kioussis
We have studied the one-dimensional periodic, symmetric Anderson model at half filling in the presence of disorder using finite-temperature quantum Monte Carlo techniques. We have…