EPR parameters of Boron-Vacancy and Nitrogen-Vacancy in Hexagonal Boron Nitride

Single photon emitters (SPEs) in hexagonal boron nitride have garnered significant attention over thelast few years due to their superior optical properties. Defects in two-dimensional hBN are promising for SPEs.Electron paramagnetic resonance (EPR) method is a powerful tool for defect identification including nitrogenvacancy(VN) and boron-vacancy (VB) in hBN. The Density Functional Theory (DFT) formalism has been used tocalculate the EPR parameters of VN and VB in hBN. The EPR parameters of VN and VB have been calculated andcompared with the experimental EPR parameters. The results show that they are in good agreement with theexperimental results.

کلیدواژه ها:

hBN ، EPR ، DFT ، HFCC ، g-tensor