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Intra-molecular coupling within double-segmented molecules impacting magnetic tunnel junction-based molecular spintronics devices

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Abstract

The intra-molecular coupling within multiple units of paramagnetic molecules can produce various effects on molecular spintronics devices (MSD). This paper focuses on double-segmented molecules as the device element to advance understanding of the Impact of internal molecular structure on magnetic tunnel junction-based MSD (MTJMSD). We performed Monte Carlo simulations (MCS) to fill the knowledge gap about the intramolecular coupling role in the magnetic properties of the MTJMSD. This study explored a double-segmented molecule containing two atomic sections, each with a net spin state interacting via Heisenberg exchange coupling within molecules and with ferromagnetic electrodes at different thermal energies, magnetic fields, and coupling strengths. This study also investigated the effect of magnetic field on the double-segmented molecule-based cross-junction-shaped MTJMSD. We also compared the effect of the magnetic field on the mono and double-segmented molecules when connected to two ferromagnetic electrodes. In the strong coupling regime, the intramolecular coupling and molecule coupling with the two ferromagnetic electrodes dominated the MTJMSD response near the molecular junction area. This study provides insight for evaluating the Impact of molecular nanostructure internal connectedness on the integrated MSD.

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Funding

We gratefully acknowledge the funding support from the National Science Foundation-CREST Award (Contract # HRD-1914751), Department of Energy/ National Nuclear Security Agency (DE-FOA-0003945), and National Aeronautics and Space Administration (NASA)/ Minority University Research and Education Project (MURP) grant (80NSSC19M0196).

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Authors and Affiliations

  1. Center for Nanotechnology Research and Education, Mechanical Engineering, University of the District of Columbia, Washington, DC, 20008, USA

    Pius K. Suh, Andrew Grizzle, Eva Mutunga, Bishnu Dahal, Christopher D’Angelo & Pawan Tyagi

Authors
  1. Pius K. Suh
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  2. Andrew Grizzle
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  3. Eva Mutunga
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  4. Bishnu Dahal
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  5. Christopher D’Angelo
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  6. Pawan Tyagi
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Contributions

Pius conducted theoretical simulations using Monte Carlo Simulation Program designed for Magneti tunnel junction-based molecular device research. Marzieh, EM, BD, and CD helped analyze the simulation data. BD and EM also contributed to simulation studies. PT conducted the experimental study and contributed to data analysis and manuscript writing. CD wrote the Monte Carlo simulation code to simulate MTJMSD under the supervision and direction of Pawan. Pius analyzed the experimental and theoretical data and wrote the manuscript.

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Correspondence to Pawan Tyagi.

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Suh, P.K., Grizzle, A., Mutunga, E. et al. Intra-molecular coupling within double-segmented molecules impacting magnetic tunnel junction-based molecular spintronics devices. MRS Communications 14, 103–113 (2024). https://doi.org/10.1557/s43579-023-00508-1

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