Analyzing the Surface Passivity Effect of Germanium Oxynitride: A Comprehensive Approach through First Principles Simulation and Interface State Density

The surface passivation of HPGe has become crucial for achieving an extremely low energy threshold. In this study, first-principles simulations, passivation film preparation, and metal oxide semiconductor (MOS) capacitor characterization were combined to study surface passivation.

Theoretical calculations of the energy band structure of the -H,-OH, and -NH2 passivation groups on the surface of Ge were performed, and the interface state density and potential with five different passivation groups with N/O atomic ratios were accurately analyzed to obtain a stable surface state. Based on the theoretical calculation results, the surface passivation layers of the Ge2ON2 film were prepared via magnetron sputtering in accordance with the optimum atomic ratio structure.