3 papers
cond-mat.mtrl-sci2007
On the formation and the stability of suspended transition metal monatomic chains
A. Hasmy, L. Rincon, R. Hernandez +3
We present a Tight-Binding Molecular Dynamics investigation of the stability, the geometrical and the electronic structure of suspended monatomic transition metal chains. We show t…
cond-mat.mtrl-sci2007
Crystal asymmetry induces single-atom chain formation in gold nanowires
F. Tavazza, A. Hasmy, L. E. Levine +4
We performed density functional theory and tight-binding molecular dynamics calculations to investigate the formation of suspended linear atom chains when stretching gold nanowires…
cond-mat.mtrl-sci2006
A Density Functional Study of Magnetism in Bare Gold Nano-clusters
R. J. Magyar, V. Mujica, M. Marquez +1
Magnetism in bare uncapped gold nano-clusters is explored from a density functional theory perspective with scalar relativistic effects included via the pseudo-potential. The compu…