Tailoring Nuclear Spins Order With Defects: A Quantum Technology CAD Study

The full design of relevant systems for quantum applications, ranging from quantum simulation to sensing, is presented using a combination of atomistic methods. A prototypical system features a 2D ordered distribution of spins interacting with out-of-plane spin drivers/probes. It could be realized in wide-bandgap semiconductors through open-volume point defects and functionalized surfaces with low Miller indexes. The case of defect electron spins (driver / probe) interacting via hyperfine coupling is studied with (Formula presented.) nuclear spins of H atoms chemisorbed onto (001) and (111) 3C-SiC surfaces. The system fabrication processes is stimulated with super lattice kinetic Monte Carlo (SlKMC), demonstrating that epitaxial growth under time-dependent conditions is a viable method for achieving controlled abundance or depletion of near-surface point defects. Quantum features are evaluated by means of extensive numerical analysis at a full quantum mechanical level based on calibrated models of interacting spin systems. This analysis includes both stationary (relative stability of ordered states) and time-dependent (protocols) conditions, achieved varying the model parameters (in our case the atomic structure and the external field). A rich scenario of metastable spin-waves is identified in the quantum simulation setting. The interaction between protocols and variable system configurations could hinder the effectiveness of the preparation/measurement phases.