Document Type
Article
Original Publication Date
2006
Journal/Book/Conference Title
Physical Review B
Volume
73
Issue
20
DOI of Original Publication
10.1103/PhysRevB.73.205320
Date of Submission
May 2015
Abstract
A comprehensive theoretical study of the structure and magnetic properties of Cr-doped GaN nanotubes yields some interesting and unexpected results: (1) A single wall GaN nanotube constructed from the GaN wurtzite crystal relaxes to a carbon-like zigzag SWNT structure and remains stable at 300K, while a multiwall GaN nanotube retains its original wurtzite form. (2) Cr atoms prefer to form clusters and the underlying magnetism depends on the degree of clustering. (3) The coupling between two Cr atoms mediated by the neighboring N is ferromagnetic, but changes to ferrimagnetic as the cluster grows. These results are based on spin polarized density functional theory with exchange and correlation potential approximated by both the generalized gradient approximation and the local spin density approximation +U methods.
Rights
Wang, Q., Sun, Q., Jena, P., et al. Clustering of Cr in GaN nanotubes and the onset of ferrimagnetic order. Physical Review B, 73, 205320 (2006). Copyright © 2006 American Physical Society.
Is Part Of
VCU Physics Publications
Comments
Originally published by the American Physical Society at: http://dx.doi.org/10.1103/PhysRevB.73.205320