Diffusion processes of trimers on missing row surfaces: Cu3Ag (110) and Ag3 Cu(110)

Concerted jump; Leapfrog process; Missing row surface; Molecular dynamics simulations; Trimer; Activation barriers; Different mechanisms; Diffusion process; Metastable positions; Missing row; Copper; Diffusion barriers; Energy conversion; Molecular dynamics; Oligomers; Surfaces; Silver

Abstract :

[en] A semi-empirical potential according to the embedded atom, has been applied to investigate the diffusion of trimers by computing the energy barriers for different mechanisms. Our attention was more focused on the leapfrog process which is likely to occur on missing row surfaces. The activation barriers of this mechanism are calculated using drag method at 0K. These barriers are found to be 0.64 and 0.68 eV for hopping out the channel for Cu3Ag (110) and Ag3 Cu(110) and Ag 3 / Cu (110) respectively. While for hopping down at the other side they are about 0.42 and 0.32 eV. Moreover, a deep metastable position is observed during leapfrog diffusion leading to some spectacular trimer motion. At high temperature and essentially for Cu 3Ag (110) and Ag3 Cu(110), we also observed a competition between leapfrog process and concerted jump mechanism with a deformation of trimer geometry. Implications of these findings are briefly discussed. © 2013 Springer Science+Business Media New York.

Disciplines :

Physics

Author, co-author :

Sbiaai, K.; Laboratoire de la Physique de la Matière Condensée, Faculté des Sciences, Université Chouaib Doukkali, El Jadida, Morocco

Eddiai, A.; Laboratoire de la Physique de la Matière Condensée, Faculté des Sciences, Université Chouaib Doukkali, El Jadida, Morocco

Boughaleb, Y.; Laboratoire de la Physique de la Matière Condensée, Faculté des Sciences, Université Chouaib Doukkali, El Jadida, Morocco, Laboratoire de la Physique de la Matière Condensée, Faculté des Sciences Ben m'Sik, Université Hassan II Mohammedia, Casablanca, Morocco, Académie Hassan II des Sciences et Techniques, Rabat, Morocco

Mazroui, M.; Laboratoire de la Physique de la Matière Condensée, Faculté des Sciences Ben m'Sik, Université Hassan II Mohammedia, Casablanca, Morocco

Raty, Jean-Yves ; Université de Liège - ULiège > Département de physique > Physique de la matière condensée

Meddad, M.; DAC HR Laboratory, Université Ferhat Abbas, 19000 Sétif, Algeria

Kara, A.; Department of Physics, University of Central Florida, Orlando, FL, United States

Language :

English

Title :

Diffusion processes of trimers on missing row surfaces: Cu3Ag (110) and Ag3 Cu(110)

Publication date :

2014

Journal title :

Optical and Quantum Electronics

ISSN :

0306-8919

eISSN :

1572-817X

Publisher :

Kluwer Academic Publishers, Netherlands

Volume :

Issue :

Pages :

15-22

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 10 January 2019

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