We have studied the effect of various dopants/impurities on structure and stability of group-III-nitride surfaces employing first-principles density-functional theory. For the example of H, Si, and In it is discussed whether and under what conditions impurities can affect the growth morphology and may act as surfactant or antisurfactant. Based on these results surface structures and growth conditions have been identified which allow to overcome intrinsic (thermodynamic) materials properties and limitations. Examples which will be discussed concern the enhancement of the doping efficiency, the formation of novel (tailor-made) alloys, and the self-organized growth of nano-structures. (© 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
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Jörg Neugebauer (2003) studied this question.
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