Journal
PHYSICS LETTERS A
Volume 380, Issue 13, Pages 1324-1328Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physleta.2016.02.007
Keywords
ZnO nanoisland; Magnetic and electronic properties; Bader charge analysis; First-principles study
Categories
Funding
- National Nature Science Foundation of China [11204232, 11304241, 11374237]
Ask authors/readers for more resources
First-principles calculations have been employed to investigate magnetic and electronic properties of monolayer and multi-layer ZnO nanoislands which are hexagonal BN (h-BN) prototype structures with zigzag edges and a triangular form. Two types of the zigzag edges, that is, O-terminated and Zn-terminated ones are considered. It has been found that monolayer ZnO nanoislands with the O-terminated edges exhibit magnetic properties, regardless of the nanoislands size. However, the nanoislands with Zn-terminated edges are semiconductors, and the magnetic properties are observed just for some specific sizes. Charge transfer according to Bader charge analysis is introduced to elucidate the magnetic properties of the monolayer ZnO nanoislands. Besides, multi-layer ZnO nanoislands exhibit magnetic features when their layers are odd, while those of even layers are nonmagnetic. (C) 2016 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available