Abstract

Point defects in semiconductors and insulators have been proposed as a type of qubit candidate for quantum computation. In this study, properties of PtM (M=Mg, Ca) substitutional defect in alkali earth metal oxide MO are investigated from first principles. Neutral PtM center has a triplet ground state and a spin-conserved excited state contributed by defect bands inside the bandgap of the host material. Other properties relevant to qubit applications, such as magnetic coupling between defects, optical adsorption, and hyperfine coupling, are also studied. Results presented in this study suggest that PtM center in alkali earth metal oxide is a promising qubit candidate.

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