Abstract
The origin of the brown colouration of diamond is still under discussion. Recent experiments indicate that the brown colour is caused by vacancy-type extended defects, however the shape and size of these defects remains unknown. In this work, we investigate the structural, electrical and optical properties of a large spherical vacancy clusters consisting of 71 vacancies by means of density functional theory. A comparison of our calculations with recent experimental measurements on brown natural diamond shows striking similarities and hence we suggest the brown colouration originates from large spherical vacancy clusters.
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