Ab initio study of magnetic and electronic properties of Fe-filled single-walled carbon nanotubes

• Main Authors: Rahman, Md Mahmudur, Kisaku, Masanori, Kishi, Tomoya, Matsunaka, D., Diño, Wilson Agerico, Nakanishi, Hiroshi, Kasai, Hideaki
• Format: text
• Published: Animo Repository 2004
• Subjects: Carbon nanotubes; Antiferromagnetism; Ferromagnetic materials; Chemical vapor deposition; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/3804; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4806/type/native/viewcontent/042.html
• Institution: De La Salle University

We investigate the electronic and magnetic properties of a metallic (3,3) single-walled carbon nanotube (SWCNT) filled with a linear Fe nanowire, based on the ab initio spin-polarized density functional theory. We find that in the stable structure the Fe-filled (3, 3), (5, 0) SWCNTs exhibit semicond...