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Harris, C, Lindsay, A, O'Reilly, EP;
2008
July
Evolution of N Defect States and Optical Transitions In Ordered and Disordered Gap1-Xnx Alloys
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We show using an sp(3)s* tight-binding model that the band anti-crossing (BAC) model describes well the evolution of the lowest N-related conduction states in ordered GaP1-xNx alloys, including the evolution of the Gamma character with increasing x. We obtain a good description of the lowest conduction states in disordered GaPN structures by explicitly treating the interaction between the GaP host Gamma conduction band minimum and defect states associated with a random distribution of N atoms. We find a very similar value for the total Gamma character mixed into the N levels in the ordered and disordered cases, but a wider distribution of states with Gamma character in the disordered case. We show that the band gap reduction with increasing composition is dominated by the increasing formation of N cluster states. Overall key features of the band structure can be well described using a modified BAC model which explicitly includes the broad distribution of N levels in disordered GaPN alloys..
DOI 10.1088/0953-8984/20/29/295211
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