Mechanism of p-type-to-n-type conductivity conversion in boron-doped diamond

摘要

We report on the role of two boron-hydrogen complexes in the conductivity conversion from p-type to n-type in boron-doped diamond samples. The calculated electronic structures of the simulated clusters show that the boron-hydrogen complex of hydrogen-boron pairs (BH_(1)) is characteristic of p-type conductivity, and that of two hydrogen-boron centers (BH_(2)) or three-hydrogen-boron centers (BH_(3)) have a character of n-type conductivity. The phenomenon of conversion from p-type-to-n-type conductivity through deuteration may be explained by the transformation from the BH_(1) into BH_(2) and/or BH_(3) complexes.