Magnetic properties in (Mn,Fe)-codoped ZnO nanowire
Journal article, 2013

Using the first-principles density functional theory, we have studied the electronic structures and magnetic properties of Mn/Fe codoped ZnO nanowires systematically. The calculated results of formation energy indicate that the configuration of the lowest energy where Mn and Fe atoms form nearest neighbors on the outer cylindrical surface layer along the [0001] direction, will be determined. The magnetic coupling of 8 types of Mn/Fe codoped ZnO nanowires was investigated and ferromagnetic state was found in certain configurations. The mechanism is from the fierce hybridization between 3d of Mn and Fe with O 2p near the Fermi level. The relative energy difference for configuration VIII is 0.221 eV, which indicates that room temperature ferromagnetism could be obtained in such a system and Mn/Fe codoped ZnO nanowires are a promising nanoscale spintronic material. (C) 2013 Elsevier B. V. All rights reserved.

Spintronic

Magnetic

Electronic structure

energy

ZnO

Formation

Hybridization

Nanowire

NANOBELTS

DESIGN

Author

H. W. Cao

Ministry of Education China

P. F. Lu

Ministry of Education China

Z. X. Cong

Beijing University of Posts and Telecommunications (BUPT)

Z. Y. Yu

Ministry of Education China

N. N. Cai

Ministry of Education China

X. L. Zhang

Ministry of Education China

T. Gao

Sichuan University

Shu Min Wang

Chalmers, Microtechnology and Nanoscience (MC2), Photonics

Thin Solid Films

0040-6090 (ISSN)

Vol. 548 480-484

Subject Categories

Materials Engineering

Physical Sciences

DOI

10.1016/j.tsf.2013.09.081

More information

Latest update

5/23/2018