Interface stabilization of Fe/Al(0 0 1) films by Ti interlayers - An ab-initio DFT study

Author(s)
Daniel Spisak, Juergen Hafner
Abstract

The stabilization of the growth of near-perfect Fe layers on Al(0 0 1) by the deposition of a Ti interface layer has been investigated using ab-initio density-functional method. We find that Ti deposition on Al(0 0 1) leads to the formation of an Al3Ti surface alloy with strong Al-Ti and Ti-Ti bonds and hence an increased stiffness of the surface. As a consequence, a barrier against diffusion of Fe atoms into the Al substrate is formed. At a complete monolayer coverage of the Al3Ti/Al(0 0 1) surface, however, a subsurface position of the Fe layer is again energetically preferred. This demonstrates that the stabilizing effects of the Ti interfactant is of kinetic origin and vanishes at elevated temperatures. Œ 2005 Elsevier B.V. All rights reserved.

Organisation(s)
Computational Materials Physics
Journal
Surface Science
Volume
582
Pages
69-78
No. of pages
10
ISSN
0039-6028
DOI
https://doi.org/10.1016/j.susc.2005.03.005
Publication date
2007
Peer reviewed
Yes
Austrian Fields of Science 2012
1030 Physics, Astronomy
Portal url
https://ucrisportal.univie.ac.at/en/publications/4b586fe1-2acb-4d49-99d3-147385799f48