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Towards molecular spintronics

Abstract

The ability to manipulate electron spin in organic molecular materials offers a new and extremely tantalizing route towards spin electronics, both from fundamental and technological points of view. This is mainly due to the unquestionable advantage of weak spin–orbit and hyperfine interactions in organic molecules, which leads to the possibility of preserving spin-coherence over times and distances much longer than in conventional metals or semiconductors. Here we demonstrate theoretically that organic spin valves, obtained by sandwiching an organic molecule between magnetic contacts, can show a large bias-dependent magnetoresistance and that this can be engineered by an appropriate choice of molecules and anchoring groups. Our results, obtained through a combination of state-of-the-art non-equilibrium transport methods and density functional theory, show that although the magnitude of the effect varies with the details of the molecule, large magnetoresistance can be found both in the tunnelling and the metallic limit.

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Figure 1: Structural and electronic properties of a Ni(001)/octane/Ni(001) spin-valve.
Figure 2: Structural and electronic properties of a Ni(001)/tricene/Ni(001) spin-valve.
Figure 3: Magneto-transport properties of a Ni(001)/octane/Ni(001) spin-valve.
Figure 4: Magneto-transport properties of a Ni(001)/tricene/Ni(001) spin-valve.
Figure 5: Orbital-resolved density of states for a tricene molecule attached to nickel electrodes as a function of the distance between the sulphur atom and the nickel hollow site.

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References

  1. Wolf, S. A. et al. Spintronics: a spin-based electronics vision for the future. Science 294, 1488–1495 (2001).

    Article  CAS  Google Scholar 

  2. Tsukagoshi, K., Alphenaar, B. W. & Ago, H. Coherent transport of electron spin in a ferromagnetically contacted carbon nanotube. Nature 401, 572–574 (1999).

    Article  CAS  Google Scholar 

  3. Ouyang, M. & Awschalom, D. D. Coherent spin transfer between molecularly bridged quantum dots. Science 301, 1074–1078 (2003).

    Article  CAS  Google Scholar 

  4. Xiong, Z. H., Wu, D., Valy Vardeny, Z. & Shi, J. Giant magnetoresistance in organic spin-valves. Nature 427, 821–824 (2004).

    Article  CAS  Google Scholar 

  5. Dediu, V., Murgia, M., Matacotta, F. C., Taliani, C. & Barbanera, S. Room temperature spin polarized injection in organic semiconductor. Solid State Commun. 122, 181–184 (2002).

    Article  CAS  Google Scholar 

  6. Petta, J. R., Slater, S. K. & Ralph, D. C. Spin-dependent transport in molecular tunnel junctions. Phys. Rev. Lett. 93, 136601 (2004).

    Article  CAS  Google Scholar 

  7. Pati, R., Sanapati, L., Ajayan, P. M. & Nayak, K. First-principles calculations of spin-polarized electron transport in a molecular wire: molecular spin valve. Phys. Rev. B 68, 100407(R) (2003).

    Article  Google Scholar 

  8. Emberly, E. G. & Kirczenow, G. Molecular spintronics: spin-dependent electron transport in molecular wires. Chem. Phys. 281, 311–324 (2002).

    Article  CAS  Google Scholar 

  9. Kim, G.-H. & Kim, T.-S. Electronic transport in single-molecule magnets on metallic surfaces. Phys. Rev. Lett. 92, 137203 (2004).

    Article  Google Scholar 

  10. De Teresa, J. M. et al. Inverse tunnel magnetoresistance in Co/SrTiO3/La0.7Sr0.3MnO3: new ideas on spin-polarized tunnelling. Phys. Rev. Lett. 82, 4288–4291 (1999).

    Article  CAS  Google Scholar 

  11. Soler, J. M. et al. The SIESTA method for ab initio order-N materials simulation. J. Phys. Condens. Matter 14, 2745–2779 (2002).

    Article  CAS  Google Scholar 

  12. Mullins, D. R. et al. The adsorption site and orientation of CH3S and sulfur on Ni(001) using angle-resolved X-ray photoelectron spectroscopy. Surf. Sci. 372, 193–201 (1997).

    Article  CAS  Google Scholar 

  13. Datta, S. Electronic Transport in Mesoscopic Systems (Cambridge Univ. Press, Cambridge, 1995).

    Book  Google Scholar 

  14. Caroli, C., Combescot, R., Nozieres, P. & Saint-Janes, D. A direct calculation of the tunneling current: IV. Electron–phonon interaction effects. J. Phys. C 5, 21–42 (1972).

    Article  CAS  Google Scholar 

  15. Ferrer, J., Martín-Rodero, A. & Flores, F. Contact resistance in the scanning tunneling microscope at very small distances. Phys. Rev. B 38, 10113–10115 (1988).

    Article  CAS  Google Scholar 

  16. Reily Rocha, A. & Sanvito, S. Asymmetric I–V characteristics and magnetoresistance in magnetic point contacts. Phys. Rev. B 70, 094406 (2004).

    Article  Google Scholar 

  17. Sanvito, S., Lambert, C. J., Jefferson, J. H. & Bratkovsky, A. M. General Green's-function formalism for transport calculations with spd Hamiltonians and giant magnetoresistance in Co- and Ni-based magnetic multilayers. Phys. Rev. B 59, 11936–11948 (1999).

    Article  CAS  Google Scholar 

  18. Tomfohr, J. K. & Sankey, O. F. Complex band structure, decay lengths, and Fermi level alignment in simple molecular electronic systems. Phys. Rev. B 65, 245105 (2002).

    Article  Google Scholar 

  19. Di Ventra, M., Pantelides, S. T. & Lang, N. D. First-principles calculation of transport properties of a molecular device. Phys. Rev. Lett. 84, 979–982 (2000).

    Article  CAS  Google Scholar 

  20. Brandbyge, M., Mozos, J.-L., Ordejón, P., Taylor, J. & Stokbro, K. Density-functional method for non-equilibrium electron transport. Phys. Rev. B 65, 165401 (2002).

    Article  Google Scholar 

  21. Taylor, J., Guo, H. & Wang, J. Ab initio modeling of quantum transport properties of molecular electronic devices. Phys. Rev. B 63, 245407 (2001).

    Article  Google Scholar 

Download references

Acknowledgements

This work is sponsored by the Science Foundation of Ireland under the grant SFI02/IN1/I175, the UK EPSRC and the EU network MRTN-CT-2003-504574 RTNNANO. J.F. and V.M.G.S. thank the Spanish Ministerio de Educacíon y Ciencia for financial support (grants BFM2003-03156 and AP2000-4454). A.R.R. thanks Enterprise Ireland (grant EI-SC/2002/10) for financial support. Travel has been sponsored by the Royal Irish Academy under the International Exchanges Grant scheme. We thank J. H. Jefferson for discussions.

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Correspondence to Stefano Sanvito.

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Rocha, A., García-suárez, V., Bailey, S. et al. Towards molecular spintronics. Nature Mater 4, 335–339 (2005). https://doi.org/10.1038/nmat1349

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