Dynamic bonding influenced by the proximity of adatoms to one atom high step edges
| Autor: | W. Dednam, S. Tewari, E. B. Lombardi, J. J. Palacios, J. M. van Ruitenbeek, C. Sabater |
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| Přispěvatelé: | UAM. Departamento de Física de la Materia Condensada, Universidad de Alicante. Departamento de Física Aplicada, Grupo de Nanofísica |
| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: |
Condensed Matter - Materials Science
Classical Molecular Dynamics Condensed Matter - Mesoscale and Nanoscale Physics Física Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences Adatoms Step-Edge Low Coordination One atom high step edges Gold Atoms Dynamics Simulation Atomic Precision Mesoscale and Nanoscale Physics (cond-mat.mes-hall) Hollow Sites Dynamic bonding Gold Surfaces |
| Zdroj: | Physical Review B : Condensed Matter, 106(12), 322-333 RUA. Repositorio Institucional de la Universidad de Alicante Universidad de Alicante (UA) |
| DOI: | 10.1103/physrevb.106.125418 |
| Popis: | Low-temperature scanning tunneling microscopy is used here to study the dynamic bonding of gold atoms on surfaces under low coordination conditions. In the experiments, using an atomically sharp gold tip, a gold adatom is deposited onto a gold surface with atomic precision either on the first hollow site near a step edge or far away from it. Classical molecular dynamics simulations at 4.2 K and density-functional theory calculations serve to elucidate the difference in the bonding behavior between these two different placements, while also providing information on the crystalline classification of the STM tips based on their experimental performance. This work was supported by the Generalitat Valenciana through Grants No. CDEIGENT/2018/028, No. PROMETEO/2017/139, and No. PROMETEO/2021/017. The authors also acknowledge financial support from Spanish MICIN through Grant No. PID2019-109539 GB-C43, the María de Maeztu Program for Units of Excellence in R&D (Grant No. CEX2018-000805-M), the Comunidad Autónoma de Madrid through the Nanomag COST-CM Program (Grant No. S2018/NMT-4321). The theoretical modeling was performed on the high-performance computing facilities of the University of South Africa and the University of Alicante. Netherlands Organization for Scientific Research (NWO/OCW) supported the experiments. |
| Databáze: | OpenAIRE |
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