Abstract
AbstractWe have calculated electronic structure, energetics and migration for hydrogen and hydrogen complexes in GaN employing state-of-the-art first-principles calculations. Using these results in combination with previous detailed investigations about native defects we have calculated the concentration of hydrogen and dopants for different growth conditions. Our results reveal a fundamental difference in the behavior of hydrogen in p-type and n-type material. In particular, we explain why hydrogen has little effect on donor impurities and why H concentrations are low in n-type GaN. We discuss why hydrogen is beneficial for acceptor incorporation in GaN, and identify the limitations of this process.
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