Vibrational properties of sp carbon atomic wires in cluster-deposited carbon films

Linear chains made by a single row of sp-hybridized carbon are predicted to display fascinating mechano-electronic properties connected with their termination and stabilization inside realistic carbon structures. The present work describes how the computed vibrational properties of cumulenic and polyynic carbon chains allow one to interpret the carbynic features observed in Raman spectra of cluster-assembled sp–sp2 films. The overall picture is consistent with the measured decay of the components induced by air or oxygen exposure.