Modeling of the deposition of Na Clusters on MgO(001)

Bär M, Dinh PM, Moskaleva LV, Reinhard PG, Rösch N, Suraud E (2009)

Publication Type: Journal article

Publication year: 2009

Journal

Physical Review B - Condensed Matter and Materials Physics American Physical Society (APS)

Book Volume: 80

Article Number: 195404

Journal Issue: 19

DOI: 10.1103/PhysRevB.80.195404

Abstract

We investigate the dynamics of deposition of small Na clusters on MgO(001) surface. A hierarchical modeling is used combining quantum mechanical with molecular mechanical description. Full time-dependent density-functional theory is used for the cluster electrons while the substrate atoms are treated at a classical level. We consider Na6 and Na8 at various impact energies. We analyze the dependence on cluster geometry, trends with impact energy, and energy balance. We compare the results with deposit on the much softer Ar(001) surface. © 2009 The American Physical Society.

Authors with CRIS profile

Paul-Gerhard Reinhard Naturwissenschaftliche Fakultät

Involved external institutions

Technische Universität München (TUM) DE Germany (DE) Université Toulouse III - Paul Sabatier FR France (FR)

How to cite

APA:

Bär, M., Dinh, P.M., Moskaleva, L.V., Reinhard, P.-G., Rösch, N., & Suraud, E. (2009). Modeling of the deposition of Na Clusters on MgO(001). Physical Review B - Condensed Matter and Materials Physics, 80(19). https://doi.org/10.1103/PhysRevB.80.195404

MLA:

Bär, M., et al. "Modeling of the deposition of Na Clusters on MgO(001)." Physical Review B - Condensed Matter and Materials Physics 80.19 (2009).

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