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Estimating the Landauer-Büttiker transmission function from single molecule break junction experiments.
Stephen E Tschudi1, Matthew G Reuter
1Department of Applied Mathematics & Statistics and Institute for Advanced Computational Science, Stony Brook University, Stony Brook, NY 11794, USA.
Nanotechnology
|September 14, 2016
Summary
This study develops statistical tools to compare molecular electronic transport experiments and computations. It enables quantitative estimation of the Landauer-Büttiker transmission function from experimental data, bridging a critical gap in molecular electronics research.
Area of Science:
- Molecular electronics
- Quantum transport
- Statistical physics
Background:
- Experiments measure molecular conductance, while computations predict transmission probability.
- Comparing experimental and computational results is challenging due to data type differences (statistical vs. deterministic).
- Existing methods lack rigorous statistical comparison for molecular electron transport.
Purpose of the Study:
- To develop tools for quantitatively estimating Landauer-Büttiker transmission functions from experimental statistics.
- To enable rigorous statistical comparisons between experimental and computational data in molecular electron transport.
- To bridge the gap between experimental measurements and theoretical predictions in molecular electronics.
Main Methods:
- Developed novel statistical tools to estimate transmission function shape with error bars.
- Utilized experimental statistics from conductance and thermopower measurements.
- Applied developed tools to existing molecular electron transport datasets.
Main Results:
- Successfully estimated Landauer-Büttiker transmission functions directly from experimental statistics.
- Demonstrated quantitative, statistically rigorous comparisons between experiment and computation.
- Provided a method to overcome the deterministic vs. statistical data discrepancy.
Conclusions:
- The developed tools facilitate accurate comparison of experimental and computational results in molecular electron transport.
- This work advances the understanding and reliability of molecular electronic device characterization.
- Enables more precise validation of theoretical models against experimental observations.
