Electronic, magnetic, and quantum phenomena in doped boron nitride

The substitutional doping of magnetic elements is one of the best techniques for developing tunable bandgaps and magnetism in layered materials with potential applications in future quantum technologies and memory devices. The interplay between local magnetic moments and electronic states in these materials is crucial, however in depth understanding of their properties and potential applications have been constrained due to a dearth of suitable candidates. Here, we present ab initio calculated electronic and magnetic properties along with quantum states generation with the help of magnetic dopants in wide bandgap insulators, such as transition metal doped boron nitride. Further, we examine their phonon frequencies for dynamical stability and explore their potential use in quantum information processing.