Defect characterization and numerical modelling of single-crystal ultra-pure intrinsic diamond

Abstract In this paper, the native defects in the bulk of single-crystal semiconducting diamond have been characterized by thermally stimulated current spectroscopy (TSC), its variant (i.e. Zero-bias TSC) and Photoluminescence (PL) measurements. The Zero-bias TSC measurements reveal the presence of a hole trap and an electron trap located at Ev+0.75 eV and Ec−0.95 eV respectively, with trap density in ~10131013cm−3 cm−3 range whereas the PL measurements confirm the presence of the Nitrogen-Vacancy centers in the diamond bulk. Based on the identified native defects and their extracted trap signatures, a three-level bulk trapping model has been developed for bulk diamond photoconductor-like structure. The trapping parameters are incorporated into the commercial TCAD software and the simulated characteristics are found to be in excellent agreement with the experimental results thus validating the developed model.