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Chirality-Induced Spin Selectivity: The Role of Electron Correlations
1Department of Physics and Astronomy , Uppsala University , Box 516, 75120 Uppsala , Sweden.
The Journal of Physical Chemistry Letters
|October 29, 2019
Summary
Electron correlations significantly enhance chirality-induced spin selectivity (CIS) in helical molecules. A many-body approach reveals a two-orders-of-magnitude increase in spin polarization, crucial for understanding this phenomenon.
Area of Science:
- Condensed Matter Physics
- Quantum Chemistry
- Molecular Electronics
Background:
- Chirality-induced spin selectivity (CIS) is a nonequilibrium phenomenon in helical molecules driven by geometrical helicity and spin-orbit interactions.
- Existing models often rely on unrealistic spin-orbit interaction parameters and neglect electron correlations.
- Uncorrelated, single-electron theories fail to fully capture the complexities of CIS.
Purpose of the Study:
- To investigate chirality-induced spin selectivity using a many-body approach.
- To systematically treat the correlated electronic state under nonequilibrium conditions.
- To determine the impact of electron correlations on intrinsic molecular spin polarization.
Main Methods:
- Development and application of a many-body theoretical framework.
- Inclusion of electron correlation effects within the model Hamiltonian.
- Simulation of spin-polarized transport through molecular chains under external magnetic fields.
Main Results:
- Intrinsic molecular spin polarization increased by two orders of magnitude compared to uncorrelated models.
- Electronic structure showed sensitivity to external magnetic conditions.
- Achieved a 5-10% normalized current difference for short molecular chains at room temperature.
Conclusions:
- Electron correlations are vital for accurately explaining chirality-induced spin selectivity.
- The many-body approach provides a more realistic description of CIS phenomena.
- Experimental validation of these findings is feasible with current technology.
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