https://doi.org/10.1140/epjb/e2004-00215-9
Oscillator strength calculations in color centers of diamond and the role of spin
Department of Physics, Sharif University of Technology, Tehran,
PO Box 11365-9161, Iran
Corresponding author: a heydaris@mehr.sharif.edu
Received:
9
March
2004
Published online:
23
July
2004
A generalized Hubbard model based on a molecular approach is used to calculate many electron wavefunctions of diamond vacancies. We have calculated the oscillator strength of the dipole transition rates from the ground states of the neutral and negatively charged vacancies. The ratio of the oscillator strengths is in very good quantitative agreement with the reported optical spectroscopic data. Electronic configurations in the ground and dipole allowed excited states are presented. With the proposed picture, the much larger oscillator strength of the negatively charged vacancy with respect to other experimentally investigated color centers N-V, H3, N3 and H4 is explained.
PACS: 61.72.Bb – Theories and models of crystal defects / 61.72.Ji – Point defects (vacancies, interstitials, color centers, etc.) and defect clusters / 71.55.-i – Impurity and defect levels
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2004
