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

• المؤلفون الرئيسيون: David, Melanie Y., Kishi, Tomoya, Kisaku, Masaniro, Nakanishi, Hiroshi, Kasai, Hideaki
• التنسيق: text
• منشور في: Animo Repository 2005
• الموضوعات: Nanotubes; Nanostructured materials; Iron; Nickel; Density functionals; Physics
• الوصول للمادة أونلاين: https://animorepository.dlsu.edu.ph/faculty_research/6775
• المؤسسة: De La Salle University

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...