This title appears in the Scientific Report :
2008
Please use the identifier:
http://dx.doi.org/10.1021/nl0800671 in citations.
Theory and Application of Chain Formation in Break Junctions
Theory and Application of Chain Formation in Break Junctions
We introduce a generic model of chain formation in break junctions by formulating criteria for the stability and producibility of suspended monatomic chains based on total energy arguments. Using ab initio calculations including spin-polarization and spin-orbit coupling, we apply our model to the fo...
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Personal Name(s): | Thiess, A. |
---|---|
Mokrousov, Y. / Blügel, S. / Heinze, S. | |
Contributing Institute: |
Quanten-Theorie der Materialien; IFF-1 Jülich-Aachen Research Alliance - Simulation Sciences; JARA-SIM JARA-FIT; JARA-FIT Quanten-Theorie der Materialien; IAS-1 |
Published in: | Nano letters, 8 (2008) S. 2144 - 2149 |
Imprint: |
Washington, DC
ACS Publ.
2008
|
Physical Description: |
2144 - 2149 |
DOI: |
10.1021/nl0800671 |
PubMed ID: |
18636781 |
Document Type: |
Journal Article |
Research Program: |
Grundlagen für zukünftige Informationstechnologien |
Series Title: |
Nano Letters
8 |
Subject (ZB): | |
Publikationsportal JuSER |
We introduce a generic model of chain formation in break junctions by formulating criteria for the stability and producibility of suspended monatomic chains based on total energy arguments. Using ab initio calculations including spin-polarization and spin-orbit coupling, we apply our model to the formation of monatomic 4d and 5d transition metal (TM) chains. We explain the physical origin of the experimentally observed general trend of increasing probability for the creation of long chains for late 5d TMs and suppressed chain formation for 4d TMs. We also clarify why the probability of chain elongation can be greatly enhanced by the presence of adsorbates in experiments. |