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Electronic structure Theoretical Experimental Analysis Optical Properties Defects GaN:
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Theoretical And Experimental Analysis Of Optical Properties Of Defects In Gan:, Ibrahima Castillo Diallo
Theoretical And Experimental Analysis Of Optical Properties Of Defects In Gan:, Ibrahima Castillo Diallo
Theses and Dissertations
Using the Heyd-Scuseria-Ernzherof (HSE06) hybrid functional method along with photoluminescence experimental measurements, we analyze the properties of intrinsic defects such as vacancies, interstitials, antisites, and common complexes. By using configurational coordinate diagrams, we estimate the likelihood of defects to be radiative or non-radiative. Our calculations show that gallium vacancies exhibit a large magnetic moment in the neutral charge state and are most likely non-radiative. We also investigate the correlation between the observed infrared PL bands created in 2.5 MeV electron-irradiated GaN samples and the formation of native defects. It is found that gallium-nitrogen divacancies are possible sources of the broad …