2 papers
cond-mat.mtrl-sci2003
Theoretical Fluctuations of Conductance in Stretched Monatomic Nanowire
F. Picaud, V. Pouthier, C. Girardet +1
Recent experiments showed that the last, single channel conductance step in monatomic gold contacts exhibits significant fluctuations as a function of stretching. From simulations…
cond-mat.mtrl-sci2003
Complex Band Structures and Decay Length in Polyethylene Chains
Fabien Picaud, Alexander Smogunov, Andrea Dal Corso +1
The complex band structure of an isolated polyethylene chain is calculated within Density Functional Theory (DFT). A plane wave basis and ultrasoft pseudopotentials are used. The r…