From Jekyll to Hyde and Beyond: Hydrogen's Multifaceted Role in Passivation, H-Induced Breakdown, and Charging of Amorphous Silicon Nitride.

ABSTRACT: In semiconductor devices, hydrogen has traditionally been viewed as a panacea for defects, being adept at neutralizing dangling bonds and consequently purging the related states from the band gap. With amorphous silicon nitride (a-Si₃N₄)─a material critical for electronic, optical, and mechanical applications─this belief holds true as hydrogen passivates both silicon and nitrogen dangling bonds. However, there is more to the story. Our density functional theory calculations unveil hydrogen's multifaceted role upon incorporation in a-Si₃N₄. On the "Jekyll" side, hydrogen atoms are indeed restorative, healing coordination defects in a-Si₃N₄. However, "Hyde" emerges as hydrogen induces Si-N bond breaking, particularly in strain

SUBMITTER: Cottom J 

PROVIDER: S-EPMC10823530 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature