Optical Absorption Spectra of Charge-Doped Single-Walled Carbon Nanotubes from First-Principles Calculations

We calculated the optical absorption spectrum response of single-walled carbon nanotubes under charge doping by using density functional theory. We find that the spectrum responses can be generally divided into two categories: one is similar to those obtained from the graphene zone-folding and rigid-band model, while the other deviates from the expectation and shows several special features. Our analysis reveals that the doping type and curvature effects play the primary role. Finally, we argue that the present results will probably prevail in more blaborate methods and other similar nanotubes.http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000265529700028&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701Chemistry, PhysicalNanoscience & NanotechnologyMaterials Science, MultidisciplinarySCI(E)EI3ARTICLE177058-706411