Structure and Raman scattering of chained carbon films on copper substrate: Ab initio approach

Abstract

During the past decades one-dimensional carbon allotropes were attracting much interest. One of such modifications consists of the sp 1 chains, ordered in a hexagonal array with nearly 5 angstroms interchain spacing-linear-chained carbon (LCC). The technological problem of LCC synthesis is the lack of characterization technique confirming its structure along chains. In this work we try to improve the simple structural model of LCC by adding copper substrate and dopants. We compare the experimental Raman spectra with ones modelled by DFT. The calculation results explain the low-frequency features seen in experimental Raman spectra by the substrate-enhanced interaction of carbon chains. © 2018 Published under licence by IOP Publishing Ltd.