Origin of brown coloration in diamond
Abstract
Measurements of the absorption spectra of brown natural type IIa diamond as well as brown nitrogen-doped CVD diamond are reported. These are largely featureless and increase almost monotonically from about 1- 5.5eV . It is argued that the brown coloration is due to an extended defect and not to a point defect. First principles modeling studies demonstrate that the spectra could be attributed to vacancy disks lying on {111} planes. Such disks are unstable above about 200 vacancies and should relax to dislocation loops in natural diamond. Hydrogen is shown to passivate the optical activity of the disks.
- Publication:
-
Physical Review B
- Pub Date:
- March 2006
- DOI:
- Bibcode:
- 2006PhRvB..73l5203H
- Keywords:
-
- 61.72.Bb;
- 31.15.Ar;
- 31.15.Ew;
- 71.55.Cn;
- Theories and models of crystal defects;
- Ab initio calculations;
- Density-functional theory;
- Elemental semiconductors