Surface induced transfer doping (SITD) is a novel, highly efficiency doping technique that is being used to invoke the p-type surface conductivity of intrinsic diamond for high-frequency, high-power electronic devices. In the SITD process, a high electron affinity (EA) thin film acceptor layer is interfaced with the hydrogenated diamond surface with negative electron affinity (NEA) to induce the effective p-type doping on the diamond surface. Overall, device performance of the SITD doped devices is contingent on the type and quality of the interface between the acceptor layer and hydrogenated diamond surfaces. Motivated by this, our internal theoretical modeling efforts based on a hybrid approach of machine learning and first principle calculations have focused on performing bottom-up design of novel acceptor layers with higher stability and improved device performance, e.g., doped TMOs and 2D layer. In this talk, recent results from our predictive modeling effort will be presented.
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