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.