29 citations · 29 across the 2 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2005
Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces
Adam Kiejna, Georg Kresse, Jutta Rogal +3
We scrutinize the accuracy of the pseudopotential approximation in density-functional theory (DFT) calculations of surfaces by systematically comparing to results obtained within a…
cond-mat.mtrl-sci2004★ 29 cited
Density-functional study of oxygen adsorption on Mo(112)
Adam Kiejna, R. M. Nieminen
Atomic oxygen adsorption on the Mo(112) surface has been investigated by means of first-principles total energy calculations. Among the variety of possible adsorption sites it was…
cond-mat.mes-hall2003
Simple Model for Energy and Force Characteristics of Metallic Nanocontacts
V. V. Pogosov, V. P. Kurbatsky, D. P. Kotlyarov +1
The quantum size oscillations of the energetic properties and the elongation force of the gold slabs and wires, isolated and in a contact with electrodes, are calculated in a free-…