I want to simulate sputtered hydrogenated amorphous silicon a-Si:H/c-Si interface for silicon heterojunction solar cell fabrication and i would like to know what is the appropriate ab-initio program ?
It's possible to simulate heterojunction silicon solar cell with aSi:H/c-Si interface using SCAPS 1D. The simulation software doesn't bothered about the fabrication method you used for layer formation for eg: whether it's sputtering or PECVD. The simulation software needs the optical, material and electrical characteristics of the layers used for making solar cells.
If you are using some virtual fabrication software like Atlas Athena the method of fabrication sounds.