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

• المؤلفون الرئيسيون: Rahman, Md Mahmudur, Kisaku, Masanori, Kishi, Tomoya, Matsunaka, D., Diño, Wilson Agerico, Nakanishi, Hiroshi, Kasai, Hideaki
• التنسيق: text
• منشور في: Animo Repository 2004
• الموضوعات: Carbon nanotubes; Antiferromagnetism; Ferromagnetic materials; Chemical vapor deposition; Physics
• الوصول للمادة أونلاين: https://animorepository.dlsu.edu.ph/faculty_research/3804; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4806/type/native/viewcontent/042.html

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 semiconducting properties, and the Fe nanowires lose their magnetic moment, while the (4, 4), (5, 5), (6, 6), (6,0) SWCNTs having larger radius with linear Fe nanowires are metallic, and show magnetic moments.