Revealing the Geometry and Conductance of Double-Stranded Atomic Chains of Gold

Autor: Carlos Untiedt, Carlos Sabater, Maria J. Caturla, Juan Jose Palacios
Přispěvatelé: Universidad de Alicante. Departamento de Física Aplicada, Grupo de Nanofísica, Física de la Materia Condensada
Rok vydání: 2020
Předmět:
Zdroj: The Journal of Physical Chemistry C. 124:26596-26602
ISSN: 1932-7455
1932-7447
DOI: 10.1021/acs.jpcc.0c07264
Popis: Here we report on the identification and characterization of suspended double-stranded Au atomic chains up to ∼4 atoms long, using a scanning tunneling microscope adapted for the fabrication and simultaneous recording of the conductance. These chains are one of the smallest structures with the highest stability connecting two metallic electrodes, identified from the evolution of the conductance in the process of the controlled breakage of the contact between two metals. Molecular dynamics simulations and density functional theory electron transport calculations help us to unveil the richness of the geometric structures appearing in the experiments in the form of double-stranded chains, their stability, and how these can evolve into the formation of monoatomic chains. This work was supported by the Generalitat Valenciana through PROMETEO2017/139, the Spanish government through Grants MAT2016-78625-C2-1-P, FIS2016-80434-P, and PID2019-109539GB-C4, and the Marı́a de Maeztu Programme for Units of Excellence in R&D (CEX2018-000805-M); by Comunidad Autónoma de Madrid through Grant S2018/NMT-4321 (NanomagCOST-CM), by the Fundación Ramón Areces, and by the European Union Graphene Flagship under Grant No. 604391. C.S. gratefully acknowledges financial support from Generalitat Valenciana with the programs GENT (CDEIGENT2018/028). J.J.P. acknowledges the computer resources and assistance provided by the Barcelona Supercomputing Center (FI-2019-2-0007) and the Universidad Autónoma de Madrid.
Databáze: OpenAIRE