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Perfect Spin Filtering in Homobimetallic Ni Complex with High Tolerance to Structural Changes
Yingjie Jiang1,2, Yadong Wei2, Yuxiu Wang1
1School of Materials Science and Engineering , Harbin University of Science and Technology , Harbin 150080 , China.
The Journal of Physical Chemistry Letters
|November 30, 2019
Summary
This study explores homobimetallic complexes for molecular spintronics. These complexes demonstrate stable spin polarization, achieving perfect spin filtering even when stretched, showing great potential for spintronic devices.
Area of Science:
- Materials Science
- Quantum Chemistry
- Condensed Matter Physics
Background:
- Ligand field theory describes metal ion electronic configurations (low spin/high spin) based on ligand interactions.
- Stable spin polarization is crucial for molecular spintronic devices, facing challenges from external stimuli-induced spin switching.
Purpose of the Study:
- Investigate the potential of an asymmetric homobimetallic complex for molecular spintronics.
- Analyze its electronic transport properties, including spin polarization and stability under mechanical strain.
Main Methods:
- Utilized nonequilibrium Green's function (NEGF) combined with spin density functional theory (DFT).
- Performed theoretical calculations to simulate transport phenomena in the homobimetallic complex.
Main Results:
- The homobimetallic complex exhibits negative differential resistance, rectification, and perfect spin filtering at the molecular level.
- Even when stretched by 0.45 Å, the high spin (HS) state remains stable due to weak Ni-Ni interaction, maintaining 100% spin filtering efficiency despite a 30% conductivity decrease.
Conclusions:
- Asymmetric homobimetallic complexes show significant promise for developing molecular spintronic devices.
- Their robust spin filtering capabilities and stability under strain highlight their potential for advanced electronic applications.
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