Theoretical Studies of the Spin-Dependent Electronic Transport Properties in Ethynyl-Terminated Ferrocene Molecular Junctions
The spin-dependent electron transport in the ferrocene-based molecular junctions, in which the molecules are 1,3-substituted and 1,3′-substituted ethynyl ferrocenes, respectively, is studied by the theoretical simulation with nonequilibrium Green’s function and density functional theory. The calcula...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2018-02-01
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| Series: | Micromachines |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2072-666X/9/3/95 |