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Hole trapping has been observed in nitride heterostructure devices, where the Fermi level is in the vicinity of the valence-band maximum. Using hybrid density functional calculations, we examine microscopic mechanisms for hole trapping in GaN and AlN. In a defect-free material, hole trapping does not spontaneously occur, but trapping can occur in the vicinity of impurities, such as C—a common unintentional...
Acceptor defects and impurities play a critical role in the performance of GaN‐based devices. Mg is the only acceptor impurity that gives rise to p‐type conductivity, while other acceptors (such as C impurities and defects) act as sources of compensation and trapping. From the point of view of theory, understanding the physics of acceptor species in GaN has long been a challenge. In the past,...
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