Ab initio study of ferromagnetism in Ga1−xCrxN thin films

Authors

Qin Wang, Virginia Commonwealth UniversityFollow
Q. Sun, Virginia Commonwealth University
Puru Jena, Virginia Commonwealth UniversityFollow
J. Z. Yu, Tohoku University
R. Note, Tohoku University
Y. Kawazoe, Tohoku University

Document Type

Article

Original Publication Date

2005

Journal/Book/Conference Title

Physical Review B

Volume

72

Issue

4

DOI of Original Publication

10.1103/PhysRevB.72.045435

Comments

Originally published by the American Physical Society at: http://dx.doi.org/10.1103/PhysRevB.72.045435

Date of Submission

May 2015

Abstract

Electronic structure and magnetic properties of Ga1-xCrxN thin films are studied using the gradient corrected density functional method and a supercell slab model. Calculations are carried out by varying the concentration of doped Cr atoms and the sites they occupy. Cr atoms are found to prefer to reside on the surface sites and cluster around N as Mn atoms do. However, unlike Mn-doped GaN, Cr-doped GaN is found to be ferromagnetic for all concentrations studied. The calculated ferromagnetism is in agreement with recent experimental observations.

Rights

Wang, Q., Sun, Q., Jena, P. et al. Ab initio study of ferromagnetism in Ga1−xCrxN thin films. Physical Review B, 72, 045435 (2005). Copyright © 2005 American Physical Society.

Is Part Of

VCU Physics Publications