Published December 1, 2005
| Version v1
Journal article
Energy of step formation on metal surfaces from the stabilized-jellium model
Creators
- 1. Faculty of Physics and Nuclear Sciences, Amirkabir University of Technology, P.O. Box 15875-4413, Tehran (Iran, Islamic Republic of)
Description
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
Additional details
Identifiers
- DOI
- 10.1016/j.physb.2005.08.014;
- PII
- S0921-4526(05)00956-7;
Publishing Information
- Journal Title
- Physica. B, Condensed Matter
- Journal Volume
- 369
- Journal Issue
- 1-4
- Journal Page Range
- p. 187-195
- ISSN
- 0921-4526
- CODEN
- PHYBE3
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 37069824
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ALUMINIUM; APPROXIMATIONS; COMPARATIVE EVALUATIONS; DENSITY FUNCTIONAL METHOD; ELECTRON DENSITY; EXPANSION; KINETIC ENERGY; SURFACES
- Descriptors DEC
- CALCULATION METHODS; ELEMENTS; ENERGY; EVALUATION; METALS; VARIATIONAL METHODS
Optional Information
- Copyright
- Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.