Energetics of Ir adatoms on Ir(111)

The stability of Ir domains on Ir(111) is investigated theoretically by computing the relevant interaction energies. The study is based on a representation of the total energy in terms of a generalized Ising model containing effective cluster interactions which are determined from the electronic str...

Full description

Saved in:
Bibliographic Details
Published in:Journal of physics. Condensed matter 2000-08, Vol.12 (31), p.7005-7012
Main Authors: Habar, M, Stauffer, L, Dreyssé, H, Wille, L T
Format: Article
Language:English
Subjects:
Applied sciences
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Metals. Metallurgy
Physics
Solid surfaces and solid-solid interfaces
Surface structure and topography
Surfaces and interfaces
thin films and whiskers (structure and nonelectronic properties)
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The stability of Ir domains on Ir(111) is investigated theoretically by computing the relevant interaction energies. The study is based on a representation of the total energy in terms of a generalized Ising model containing effective cluster interactions which are determined from the electronic structure. A simple but realistic tight-binding Hamiltonian is used with configurational averages computed by a direct method. A transition from hcp (hexagonal close-packed) growth to fcc (face-centred cubic) growth as a function of adlayer concentration is observed and compact cluster formation is favoured, in precise agreement with experiment.
ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/12/31/302