First-principles study of electron and spin transport in carbon chain based nanodevices

Abstract

Low dimensional carbon materials have been predicted that have exceptional electrical properties, ballistic quantum transport, and magnetic properties. Nowadays, thanks to development of synthesizing techniques, pure carbon-based nanoelectronic devices become practical applications, such as carbon chains (CCs) encapsulated within carbon nanotubes (CNTs) and CCs between graphene nanoribbons (GNRs). In this thesis, I explored the electron transport at CCs encapsulated within single-walled carbon nanotubes (SWNTs) and the spin transport at CCs between GNRs. Here, I used the density functional theory (DFT) with matrix Green’s function method. I expect that this work will be as an important material for the understanding and designing carbon-based nanoelectronic devices.