(411b) Controlling the Formation of Spin Defects in Semiconductors for Quantum Technologies

Defects in wide bandgap semiconductors hold exceptional promise for microelectronics and future quantum sensing and communications applications. One of such materials platform is silicon carbide (SiC), owing to its nature as a host of bright optically active point defects known as spin qubits, existing wafer-scale fabrication capabilities, and straightforward integration with silicon-based microelectronics. An ongoing barrier to
fully realizing future SiC quantum technologies is a lack of detailed knowledge regarding the molecular processes driving the synthesis and incorporation of solid-state defects (e.g., point defects, stacking faults) that present significant challenges for controlling the spin qubit’s local electrostatic environment. Here we investigate the dynamics of several point defects [1] and extended defects in SiC during their material processing conditions using density functional theory and first-principles molecular dynamics simulations. We identify pathways to create new spin defects and determine their electronic properties using hybrid density functional calculations. The detailed view of the mechanisms that underpin the formation and dynamics of spin defects presented here may facilitate the realization of qubits in an industrially relevant material.

[1] E. M.Y. Lee, A. Yu, J. J. de Pablo, and G. Galli. Nature Communications, 12, 6325 (2021)