First-principles study of electronic and magnetic properties of 3d transition metal-filled single-walled carbon nanotubes

• Main Authors: Kasai, Koichiro, Moreno, Joaquin Lorenzo Valmoria, David, Melanie Yadao, Sarhan, Abdulla Ali Abdulla, Shimoji, Nobuaki, Kasai, Hideaki
• Format: text
• Published: Animo Repository 2008
• Subjects: Carbon nanotubes—Magnetic properties; Transition metals
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/3998
• Institution: De La Salle University

We have investigated the electronic and magnetic properties of (3,3) and (4,4) single-walled carbon nanotubes (SWNTs) filled with 3d transition metal (TM) monatomic chains, using first-principles calculations based on the density functional theory to get a thorough understanding of metal atom-filled...