| Crystal Research and Technology |
Infrared absorption on GaAs doped with Chalcogenides under hydrogen plasma treatment has shown the presence of two new localised modes, namely stretching and wagging modes. We present a simple nine atom molecular model to compute these defect modes by assuming the hydrogen to be bound in the antibonding position of the nearest Ga atom, resulting in a defect complex of C3V symmetry. Group theoretical methods are employed to obtain the frequencies of the normal modes enabling precise identification of localised modes.
Keywords: localised vibrational modes, symmetry coordinates, point group