Document Type
Article
Original Publication Date
2004
Journal/Book/Conference Title
Applied Physics Letters
Volume
84
Issue
21
DOI of Original Publication
10.1063/1.1755834
Date of Submission
April 2015
Abstract
First-principles calculations of total energies and magnetism of Zn1−xMnxOthin film are performed by simulating it with a slab consisting of seven layers along (112̄0). It is shown that a single Mn atom shows very little preference for the site it occupies. This is consistent with the experimental finding that Mn atoms are homogeneously distributed in ZnO films. As the concentration of Mn atoms increases, antiferromagnetic coupling between Mn atoms becomes more favorable, and there is a tendency for Mn atoms to form clusters around oxygen, in agreement with recent experiments.
Rights
Wang, Q., Jena, P. First-principles study of magnetism in (112̄0) Zn1−xMnxO thin film. Applied Physics Letters, 84, 4170 (2004). Copyright © 2004 AIP Publishing LLC.
Is Part Of
VCU Physics Publications
Comments
Originally published at http://dx.doi.org/10.1063/1.1755834