Fe nanochain and nanowires encapsulation in isolated finite thickness ZnO nanotube and its bundle systems

¹ Physics Department, Faculty of Science, Razi University, Kermanshah, Iran
² Nano Science and Technology Research Center, Razi University, Kermanshah, Iran
³ Tech-Market Services Corridor, Dr. Fatemi St., Tehran, Iran

^a e-mail: moradian.rostam@gmail.com

Received: 24 September 2013
Revised: 6 May 2014
Accepted: 15 July 2014
Published online: 8 August 2014

Abstract

Synthesized ZnO nanotubes have finite wall thickness and holy hexagon section. Using density functional theory first we calculated structural and electronic properties of isolated and bundle of these systems. Then same calculations are performed for these systems which encapsulated Fe nanochain or Fe nanowires with different thickness. We found for both cases the bundle is more stable than isolated nanotube. Both pristine of isolated and bundle are semiconductor, in which the bundle energy gap is less than isolated nanotube. All encapsulated systems are spin polarized ferromagnetic with high magnetic moment. In each encapsulated nanotube for lower thickness all ZnO layers are metal but for high thickness the outer layers remained semiconductor.