How Semi-Conductor Lasers Fail - Modelling Defect Effects

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If a dislocation is present in a light emitting device, it causes failure by acting as a carrier recombination pathway and grows through the material by emitting atoms, eventually shutting of all luminescence. This is a long-standing and significant problem for industrial applications; however, despite the significant technological progress improved knowledge would generate, the atomistic mechanisms underlying recombination-enhanced dislocation climb and its interaction with vacancies and interstitials are poorly understood, with no first principles work reported to date. This PhD project will address this deficiency for the first time using simulation methods that combine quantum mechanical (QM) calculations with machine learning.