Electronic structure of the N-V center in diamond: Theory.

Abstract

We present insights into the electronic structure and relaxation of N-$V$ color centers in diamond which support the contention that Jahn-Teller effects may play a very significant role in the excited $E$ state. We also consider several opposing arguments, but show that the unusual relaxation behavior of the N-$V$ center can mask common signatures of the Jahn-Teller effect, and that it remains a strong candidate for the dominant interaction determining excited-state splittings.