TY - JOUR
T1 - Theoretical description of carrier mediated magnetism in cobalt doped ZnO
AU - Walsh, Aron
AU - Da Silva, J L F
AU - Wei, S-H
PY - 2008/6/23
Y1 - 2008/6/23
N2 - Substitutional cobalt in ZnO has a weak preference for antiferromagnetic ordering. Stabilization of ferromagnetism is achieved through n-type doping, which can be understood through a band coupling model. However, the description of the transition to a ferromagnetic ground state varies within different levels of band theory; issues arise due to the density functional theory underestimation of the band gap of ZnO, and the relative position of the nominally unfilled Co t(2d) states. We examine these limitations, including approaches to overcome them, and explain the contradictions in previous studies, which drastically overestimate the doping threshold for magnetic ordering.
AB - Substitutional cobalt in ZnO has a weak preference for antiferromagnetic ordering. Stabilization of ferromagnetism is achieved through n-type doping, which can be understood through a band coupling model. However, the description of the transition to a ferromagnetic ground state varies within different levels of band theory; issues arise due to the density functional theory underestimation of the band gap of ZnO, and the relative position of the nominally unfilled Co t(2d) states. We examine these limitations, including approaches to overcome them, and explain the contradictions in previous studies, which drastically overestimate the doping threshold for magnetic ordering.
KW - mn
KW - ferromagnetism
KW - semiconductor spintronics
KW - model
KW - origins
KW - electronic-structure
UR - http://www.scopus.com/inward/record.url?scp=45749140048&partnerID=8YFLogxK
UR - http://dx.doi.org/10.1103/PhysRevLett.100.256401
U2 - 10.1103/PhysRevLett.100.256401
DO - 10.1103/PhysRevLett.100.256401
M3 - Article
SN - 0031-9007
VL - 100
JO - Physical Review Letters
JF - Physical Review Letters
IS - 25
M1 - 256401
ER -