Abstract
We performed the first-principles calculations for a nitrogen vacancy (V N) and hydrogen(H) atom in β-Si3N4 to clarify the atomistic origin of charge traps in silicon nitride (SiN) layers and charge-trapping mechanism used for 3D NAND flash memories. The present calculations showed that V N attracted H impurities and the structures where one Si dangling bond on V N is terminated by an H atom and the remaining two Si atoms form Si–Si bond (V N-H complexes) were formed in SiN layers. We investigated the electronic behavior of V N-H complexes and found that V N-H complexes act as charge traps. From our results, the atomistic origin of charge traps in SiN layers seems to be V N-H complexes.
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