Mechanical properties of bimetallic one-dimensional structures

EM Smelova and II Sitnikov and VS Zelensky and KM Tsysar and VG Andreev and VA Vdovin and AM Saletsky, INTERNATIONAL CONFERENCE ON MICRO- AND NANO-ELECTRONICS 2016, 10224, 1022406 (2016).

DOI: 10.1117/12.2267129

Mechanical properties of freestanding Au-Mn nanowires and Au-Mn nanowire on a Cu (110) substrate are studied with ab initio theoretical approach. The calculations were carried out using the software package Vienna Ab- initio Simulation Package (VASP), which is based on the density functional theory (DFT). It was shown that the breaking force (0.45nN) as well as the interatomic distance at a breaking point in bimetallic nanowire (3.0 angstrom) are higher than in one component Au wire (0.4 nN and 2.6 angstrom respectively). Relative elongation of 15 % results in a fracture of bimetallic nanowire. We studied the mechanical response of the nanojunction in a form of three-atomic Au chain aligned vertically between two pyramidal gold electrodes and demonstrated that the breaking of nanocontact depends only the interaction between Au atoms in the chain and dependents slightly on the structure and properties of the atomic structure of the electrodes.

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