Stable structure and electronic properties of carbon nanoarch encapsulating Fe nanowire on Ni(111)

• Main Authors: David, Melanie Y., Kishi, Tomoya, Kisaku, Masaniro, Nakanishi, Hiroshi, Kasai, Hideaki
• 格式: text
• 出版: Animo Repository 2005
• 主題: Nanotubes; Nanostructured materials; Iron; Nickel; Density functionals; Physics
• 在線閱讀: https://animorepository.dlsu.edu.ph/faculty_research/6775

We investigate the stable structures and magnetic properties of Fe-filled single-walled carbon nanotubes (SWNTs) on Ni(111) using first principle calculations. For the two different initial positions of Fe atom inside the nanotube, we find stable geometries and electronic states for the SWNT on Ni(1...