Electronic Transport Study of Bistable Cr@C28 Single-Molecule Device for High-Density Data Storage Applications

We investigate through ab initio calculation the endohedral monometallofullerene Cr@C28 as a candidate for data storage applications. First, we study the encapsulation energy and the electronic properties of two stable states of the Cr@C28 - namely I-Cr@C28 and II-Cr@C28. Then, we address the adsorption of C28, I-Cr@C28, and II-Cr@C28 onto a gold substrate. Finally, by emulating a Scanning Tunneling Microscope (STM) break-junction experimental setup, we analyze the STM-mediated transport characteristics for the most probable adsorption configurations. We find and discuss a significant and measurable current difference between the two stable states. This outcome enables the binary encoding of the information, making the proposed device promising as a single-molecule data storage element for future high-density integrated circuits.