We use ab initio methods to calculate the magnetic properties of vacancies in a graphitic boron nitride sheet ($g$-BN). By applying a full spin-polarized description to the system, we demonstrate that the nitrogen vacancy $\left(V_{\mathrm{N}}\right)$ or the boron vacancy $\left(V_{\mathrm{B}}\right)$ can induce spontaneous magnetization. The magnetic nature of these intrinsic vacancies suggests that it is important to understand their role in the recently observed magnetism in the metal-free materials.

• Received 18 October 2006

DOI:https://doi.org/10.1103/PhysRevB.75.193409