4 papers · 1 filter
Ground-state structure of the hydrogen double vacancy on Pd(111)
Sungho Kim, Seong-Gon Kim, S. C. Erwin
We determine the ground-state structure of a double vacancy in a hydrogen monolayer on the Pd(111) surface. We represent the double vacancy as a triple vacancy containing one addit…
The effect of Fe atoms on the adsorption of a W atom on W(100) surface
J. Houze, Sungho Kim, Seong-Jin Park +3
We report a first-principles calculation that models the effect of iron (Fe) atoms on the adsorption of a tungsten (W) atom on W(100) surfaces. The adsorption of a W atom on a clea…
Structure of AlSb(001) and GaSb(001) Surfaces Under Extreme Sb-rich Conditions
Jeffery Houze, Sungho Kim, Seong-Gon Kim +2
We use density-functional theory to study the structure of AlSb(001) and GaSb(001) surfaces. Based on a variety of reconstruction models, we construct surface stability diagrams fo…
Melting tungsten nanoparticles: a molecular dynamics study
Amitava Moitra, Sungho Kim, J. Houze +5
We report a molecular dynamics simulation of melting of tungsten (W) nanoparticles. The modified embedded atom method (MEAM) interatomic potentials are used to describe the interac…