Colour-causing defects and their related optoelectronic transitions in single crystal CVD diamond.

Defects causing colour in nitrogen-doped chemical vapour-deposited (CVD) diamond can adversely affect the exceptional optical, electronic and spintronic properties of the material. Several techniques were used to study these defects, namely optical absorption spectroscopy, thermoluminescence (TL) and electron paramagnetic resonance (EPR). From our studies, the defects causing colour in nitrogen-doped CVD diamond are clearly not the same as those causing similar colour in natural diamonds. The brown colour arises due to a featureless absorption profile that decreases in intensity with increasing wavelength, and a broad feature at 360 nm (3.49 eV) that scales in intensity with it. Another prominent absorption band, centred at 520 nm (2.39 eV), is ascribed to the neutral nitrogen-vacancy-hydrogen defect. The defects responsible for the brown colour possess acceptor states that are 1.5 eV from the valence band (VB) edge. The brown colour is removed by heat treatment at 1600 ° C, whereupon new defects possessing shallow (<1 eV) trap states are generated.

Brown colour in natural diamond and interaction between the brown related and other colour-inducing defects.

Absorption spectroscopy results on a range of type II diamonds are presented which enable the electronic states associated with them to be mapped out. High pressure, high temperature treatment of brown type IIa diamonds has enabled an activation energy for the removal of the brown colour of 8.0 ± 0.3 eV to be determined and this is consistent with expectations associated with the currently accepted vacancy cluster model for the defect. Theoretical calculations suggest that this defect will generate partially filled gap states about 1 eV above the valence band. Data on the photochromic behaviour of bands producing pink colour and their relation to brown colour are presented; these suggest that the pink bands are produced from two independent transitions with ground states close to each other just below the middle of the band gap. Compensation of neutral boron by charge transfer from states associated with brown colour is demonstrated via the correlated increase in neutral boron and decrease in brown colour on high pressure, high temperature treatment to remove the defects causing the brown colour.