Abstract
The effect of growth orientation on In incorporation efficiency in InGaN films grown by metal–organic vapor phase epitaxy (MOVPE) is theoretically investigated. We propose a new theoretical model that explains the role of the surface N–H layer in In incorporation based on first-principles calculations. During III–nitride MOVPE, N-terminated reconstruction with N dangling bonds passivated by H is stable. A surface N–H layer that covers a group-III (In, Ga) atomic layer prevents In atoms from desorbing and being replaced by Ga atoms. In incorporation is therefore more efficient for higher N–H layer coverage and stability. To investigate this relationship, the enthalpy change for the decomposition of a N–H layer was calculated. This enthalpy change which depends on growth orientations is in good agreement with the experimental In content.
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