Deep Level Tight-Binding Model for Transition Metal Dopant States in Diamond

Diamond is a promising system for quantum information processing [1], providing the possibility of single-spin-photon entanglement, as well as the potential for high-speed spin manipulation at room temperature (such as has been demonstrated for the electronic spin associated with an NV center [2]). Ion implantation has been demonstrated for controllable positioning of NV centers; in principle other dopants could be so implanted as well. For example, transition-metal dopants could potentially be used as optically and electrically active single spin qubits [3]. Here we use a deep level tight binding model to study the electronic trends and defect wave functions of transition-metal dopants in diamond. Starting with the Green's functions of homogeneous diamond (within an spds* tight-binding model), a Koster-Slater approach is used to evaluate the defect state. This work is supported by an AFOSR MURI.\\[4pt] [1] A. M. Stoneham, A. H. Harker and G. W. Morley, J. Phys.: Condns. Matter 21, 364222 (2009).\\[0pt] [2] R. Hanson, O. Gywat and D. D. Awschalom, Phys. Rev. B. 74, 161203(r) (2006).\\[0pt] [3] R. Larico, et. al., Phys. Rev. B. 79, 115202 (2009).