2 papers
cond-mat.mes-hall2016
Low conductance of the nickel atomic junctions in hydrogen atmosphere
Shuaishuai Li, Yi-Qun Xie, Yibin Hu
The low conductance of nickel atomic junctions in the hydrogen environment is studied using the nonequilibrium Green's function theory combined with first-principles calculations.…
cond-mat.mtrl-sci2012
Pressure-induced structural transition of ZnO nanocrystals studied with molecular dynamics
Xinwei Dong, Feng Liu, Yiqun Xie +3
We have studied the pressure-induced structural transition of ZnO nanocrystals using constant pressure molecular dynamics simulations for finite system. We have observed the transi…