Deformation effects of multi-functional monatomic carbon ring device

Carrying on first-principles, the deformation effects on negative differential resistance (NDR) and rectifying behaviors of two cumulenic monatomic rings connected by polyyne and sandwiched between two Au electrodes are investigated. Interestingly, the number of obvious NDR whose peak-to-valley ratios increase from 1.24 to 5.16 is more than three and reverse rectification ratios also climb up from 1.42 to 7.89 with deformations increasing. Analysis of transmission spectra and frontier orbitals reveals that the response of different levels and resonant peaks, and transfer of the extended states to localized states of frontier orbital resonances under biases are responsible for these phenomena. Our works present a potential route to develop a multi-functional pressure device which has multi-peaks of NDR and rectifying behaviors.