Stress release mechanisms for Cu on Pd(111) in the submonolayer and monolayer regimes
Loading...
Access rights
© 2010 American Physical Society (APS). http://www.aps.org
URL
Journal Title
Journal ISSN
Volume Title
School of Science |
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Unless otherwise stated, all rights belong to the author. You may download, display and print this publication for Your own personal use. Commercial use is prohibited.
Date
2010
Major/Subject
Mcode
Degree programme
Language
en
Pages
041412/1-4
Series
Physical Review B, Volume 81, Issue 4
Abstract
We study the strain relaxation mechanisms of Cu on Pd(111) up to the monolayer regime using two different computational methodologies, basin-hopping global optimization and energy minimization with a repulsive bias potential. Our numerical results are consistent with experimentally observed layer-by-layer growth mode. However, we find that the structure of the Cu layer is not fully pseudomorphic even at low coverages. Instead, the Cu adsorbates forms fcc and hcp stacking domains, separated by partial misfit dislocations. We also estimate the minimum energy path and energy barriers for transitions from the ideal epitaxial state to the fcc-hcp domain pattern.Description
Keywords
thin films, heteroepitaxy, dislocation
Other note
Citation
Jalkanen, J. & Rossi, G. & Trushin, O. & Granato, E. & Ala-Nissilä, Tapio & Ying, S.-C. 2010. Stress release mechanisms for Cu on Pd(111) in the submonolayer and monolayer regimes. Physical Review B. Volume 81, Issue 4. P. 041412/1-4. ISSN 1098-0121 (printed). DOI: 10.1103/physrevb.81.041412.