Detection and Modeling of Hole Capture by Single Point Defects under Variable Electric Fields

Abstract

Understanding carrier trapping in solids has proven key to semiconductor technologies, but observations thus far have relied on ensembles of point defects, where the impact of neighboring traps or carrier screening is often important. Here, we investigate the capture of photogenerated holes by an individual negatively charged nitrogen-vacancy (NV) center in diamond at room temperature. Using an externally gated potential to minimize space-charge effects, we find the capture probability under electric fields of variable sign and amplitude shows an asymmetric-bell-shaped response with maximum at zero voltage. To interpret these observations, we run semiclassical Monte Carlo simulations modeling carrier trapping through a cascade process of phonon emission and obtain electric-field-dependent capture probabilities in good agreement with experiment. Because the mechanisms at play are insensitive to the characteristics of the trap, we anticipate the capture cross sections we observe�largely exceeding those derived from ensemble measurements�may also be present in materials platforms other than diamond.