Understanding the Magnetic Environment of Spin Defects from First Principles

The magnetic environment of spin defects plays a key role in the applications of these systems in quantum information. For example, while the nuclear spin bath of material acts as a source of noise for an electronic spin defect, the spin-possessing nuclei can also be used as auxiliary qubits. They provide an excellent platform for long-term quantum information storage due to their low coupling to the magnetic environment.

Here we discuss the properties of the environmental spin bath in spin defects, investigated using first-principles simulations. We combine theoretical predictions and detailed experimental validations to characterize the noisy environment of spin defects in materials at the fundamental level and to engineer this environment to design optimal quantum memories.