Document Type
Article
Original Publication Date
2007
Journal/Book/Conference Title
Applied Physics Letters
Volume
91
Issue
6
DOI of Original Publication
10.1063/1.2768628
Date of Submission
April 2015
Abstract
A comprehensive theoretical study of electronic and magnetic properties of V-doped ZnO in bulk as well as (112¯0)thin films has been performed using density functional theory. Vanadium atoms substituted at Zn sites show very little selectivity of site occupancy. More importantly, different geometries with ferromagnetic, ferrimagnetic, and antiferromagnetic configurations are found to be energetically nearly degenerate both in Zn1−xVxO bulk and subsurface layers of the thin film. On the other hand, V atoms couple ferromagnetically when they occupy surface sites of the thin film. The diverse magnetic behaviors in V-doped ZnO account for the many reported conflicting experimental results.
Rights
Wang, Q., Sun, Q., Jena, P., et al. First-principles study of magnetic properties in V-doped ZnO. Applied Physics Letters, 91, 063116 (2007). Copyright © 2007 AIP Publishing LLC.
Is Part Of
VCU Physics Publications
Comments
Originally published at http://dx.doi.org/10.1063/1.2768628