density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1
From the 1 of 28 linked papers with an AI index.
29.3k citations · 39k across the 28 of their papers we have counts for
Showing 1997Show all
2 papers · 1 filter
cond-mat1997★ 71 cited
Oxygen adsorption on the Ru (10 bar 1 0) surface: Anomalous coverage dependence
S. Schwegmann, A. P. Seitsonen, V. De Renzi +7
Oxygen adsorption onto Ru (10 bar 1 0) results in the formation of two ordered overlayers, i.e. a c(2 times 4)-2O and a (2 times 1)pg-2O phase, which were analyzed by low-energy el…
cond-mat.mtrl-sci1997★ 185 cited
Strain-Dependence of Surface Diffusion: Ag on Ag(111) and Pt(111)
C. Ratsch, A. P. Seitsonen, M. Scheffler
Using density-functional theory with the local-density approximation and the generalized gradient approximation we compute the energy barriers for surface diffusion for Ag on Pt(11…