THEORETICAL STUDY of nc-Si: H THIN FILM by DFT METHOD AND PHONON CONFINE MODEL

摘要

In this paper, we presented some theoretical study results about nano-crystalline silicon thin film by DFT method and phonon confine model. The nano-crystalline silicon thin films were deposited by high frequency (HF) sputtering on p-type silicon substrates at low temperature (150 ). A °C combination of infrared absorption, X-ray diffraction (XRD), and atomic force microscopy (AFM) measurements have been used to characterize the films. One important conclusion both from theoretical result and experimental result is that the film has a wider band-gap compared with the face- centered cubic of diamond structure of silicon film deposited by other methods.