Optical Transitions at the Neutral and Charged Vacancies in Diamond

TL;DR

This paper presents a more precise theoretical method for predicting optical transition intensities at vacancies in diamond, successfully explaining recent experimental observations.

Contribution

It introduces an improved calculation approach using exact eigenvectors of the Hubbard Hamiltonian for vacancy transitions in diamond.

Findings

Accurately predicts $GR1$ and $ND1$ transition intensities.

Aligns well with recent experimental data.

Provides a more precise computational method than previous studies.

Abstract

We used the exact eigenvectors of the generalized Hubbard Hamiltonian solution to predict the transition intensities of the well known $GR1$ and $ND1$ transitions at the neutral and charged vacancies in diamond. In addition to using exact eigenvectors, the method of the calculation is more precise than already reported calculations. The quantitative results can exlain recent experimental data very good.