Author(s): T. Chanier, C. Pryor, and M. E. Flatté
The electronic and magnetic properties of neutral substitutional transition-metal dopants in diamond are calculated within density-functional theory using the generalized gradient approximation to the exchange-correlation potential. Ti and Fe are nonmagnetic, whereas the ground states of V, Cr, and …
[Phys. Rev. B 86, 085203] Published Mon Aug 13, 2012