Charge and spin transport in single and packed ruthenium-terpyridine molecular devices: Insight from first-principles calculations

Morari, C.;Buimaga-Iarinca, L.;Rungger, I.;Sanvito, S.;Rignanese, Gian-Marco;et.al.
(2016) Scientific Reports — Vol. 6, p. 31856 (2016)

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Authors
  • Morari, C.National Institute for Research and Development of Isotopic and Molecular Technologies, Romania
    Author
  • Buimaga-Iarinca, L.National Institute for Research and Development of Isotopic and Molecular Technologies, Romania
    Author
  • Rungger, I.School of Physics and CRANN, Trinity college, Dublin, Ireland
    Author
  • Sanvito, S.School of Physics and CRANN, Trinity college, Dublin, Ireland
    Author
  • Melinte, SorinUCLouvain
    Author
  • Rignanese, Gian-Marcoorcid-logoUCLouvain
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Abstract
Using first-principles calculations, we study the electronic and transport properties of rutheniumterpyridine molecules sandwiched between two Au(111) electrodes. We analyse both single and packed molecular devices, more amenable to scaling and realistic integration approaches. The devices display all together robust negative differential resistance features at low bias voltages. Remarkably, the electrical control of the spin transport in the studied systems implies a subtle distribution of the magnetisation density within the biased devices and highlights the key role of the Au(111) electrical contacts.
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Morari, C., Buimaga-Iarinca, L., Rungger, I., Sanvito, S., Melinte, S., & Rignanese, G.-M. (2016). Charge and spin transport in single and packed ruthenium-terpyridine molecular devices: Insight from first-principles calculations. Scientific Reports, 6, 31856. https://doi.org/10.1038/srep31856 (Original work published 2016)