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Among spin-crossover complexes, Fe-porphyrin (FeP) stands out for molecularspintronic applications: An intricate, yet favourable balance between ligandfields, charge transfer, and the Coulomb interaction makes FeP highlymanipulable, while its planar structure facilitates device integration. Here,we theoretically design a mechanical spin-switch device in which externalstrain triggers the intrinsic magneto-structural coupling of FeP through apurely organic embedding. Exploiting the chemical compatibility andstretchability of graphene nanoribbon electrodes, we overcome commonreliability and reproducibility issues of conventional inorganic setups. Thecompetition between the Coulomb interaction and distortion-induced changes inligand fields requires methodologies beyond the state-of-the-art: Combiningdensity functional theory with many-body techniques, we demonstrateexperimentally feasible tensile strain to trigger a low-spin ($S=1$) tohigh-spin ($S=2$) crossover. Concomitantly, the current through the devicetoggles by over an order of magnitude, adding a fully planar mechanicalcurrent-switch unit to the panoply of molecular spintronics.

Designing a mechanically driven spin-crossover molecular switch via organic embedding