Article ID Journal Published Year Pages File Type
9837355 Physica B: Condensed Matter 2005 9 Pages PDF
Abstract
We describe stepped metal surfaces by the stabilized-jellium model, and calculate the step formation energy within the local density approximation of the density-functional theory. Using fourth-order gradient expansion for the kinetic energy, we determine the electron density variationally from a parameterized trial density. We compare our numerical results for a monatomic step on the Al(1 1 1) surface with other theoretical calculations and estimates.
Related Topics
Physical Sciences and Engineering Physics and Astronomy Condensed Matter Physics
Authors
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