Skip to Main Content
Your organization might have access to this article on the publisher's site. To check, click on this link:http://dx.doi.org/+10.1063/1.3672090
The electronic structure and magnetic properties of nitrogen or carbon doped zinc oxide are studied by using ab initio calculation, where the electronic correlation in anion p-orbitals are enhanced by adding the on-site Coulomb repulsion. The calculation shows that the enhanced electronic correlation can result in an insulating density of state and negligible exchange coupling beyond the next nearest neighbor, both of which question the possibility of hole-induced ferromagnetism in these materials.