Shallow Donor State Due to Nitrogen-Hydrogen Complex in Diamond

Abstract

Based on an ab initio calculation, we propose a possible shallowing of a nitrogen (N) donor in diamond, in contrast to the traditional thinking that it is very deep. A complex defect of N and hydrogen (H), N-H-N, should be much shallower than an isolated N donor. A qualitative scenario for formation of the N-H-N defects is presented. The existence of this complex is strongly suggested by a recent discovery of a new muonium center in N-rich diamond.