期刊
NANOSCALE RESEARCH LETTERS
卷 8, 期 -, 页码 -出版社
SPRINGER
DOI: 10.1186/1556-276X-8-257
关键词
Electronic transport; Atomic size contacts; Mechanical annealing; Jump-to-contact phenomena; Jump-out-of-contact phenomena; Molecular dynamics simulations; Ab initio; DFT
资金
- Spanish government [FIS2010-21883, CONSOLIDER CSD2007-0010]
- Generalitat Valenciana [PROMETEO/2012/011, ACOMP/2012/127]
- Feder funds from E.U.
We have studied experimentally jump-to-contact (JC) and jump-out-of-contact (JOC) phenomena in gold electrodes. JC can be observed at first contact when two metals approach each other, while JOC occurs in the last contact before breaking. When the indentation depth between the electrodes is limited to a certain value of conductance, a highly reproducible behaviour in the evolution of the conductance can be obtained for hundreds of cycles of formation and rupture. Molecular dynamics simulations of this process show how the two metallic electrodes are shaped into tips of a well-defined crystallographic structure formed through a mechanical annealing mechanism. We report a detailed analysis of the atomic configurations obtained before contact and rupture of these stable structures and obtained their conductance using first-principles quantum transport calculations. These results help us understand the values of conductance obtained experimentally in the JC and JOC phenomena and improve our understanding of atomic-sized contacts and the evolution of their structural characteristics.
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