For fabricating photovoltaic BaSi2 films with controlled carrier density and suppressed oxidation by thermal evaporation, the mechanism determining the film composition from incongruently evaporated BaSi2 must be elucidated. We investigated the effects of source premelting, substrate temperature, and thickness on the structural and electrical properties of evaporated BaSi2 films. It is found by room-temperature deposition that the vapor composition continuously changes from being Ba-rich to being Si-rich. Source premelting suppresses the deposition of Ba-rich vapor. Deposition at 600–700 °C shows that BaSi2 forms through the mutual diffusion of Ba and Si, followed by surface oxidation by residual gas. Surface oxidation can be suppressed by a-axis-oriented growth. By changing the film thickness, the optimum thickness to obtain homogeneous films with suppressed oxidation is revealed. Sufficient diffusion leads to high film resistivities and low electron densities, which demonstrates a close relationship between the film composition and the electrical properties.

Thermal evaporation is a simple method to fabricate a BaSi2 film, a new solar cell material consisting of earth-abundant elements. In this study, we optimized the evaporation process and suppressed near-interface oxidation in evaporated BaSi2 films on Si(100) substrates, which has been detected in previous studies. Composition depth profiles determined by Auger electron spectroscopy show the decrease of oxygen concentration near the interface to the background level by optimizing the source pre-melting condition. By reducing oxygen concentration, the BaSi2 film becomes more preferentially oriented toward [100] as long as the deposition rate is not changed, as evidenced by X-ray diffraction. It is also shown that the rectification behavior of n-BaSi2/p+-Si diodes improves by suppressing the near-interface oxidation.

A novel preparation method of B-doped p-type BaSi2 (p-BaSi2) is proposed to realize heterojunction crystalline Si solar cells with p-BaSi2. The method consists of thermal evaporation of BaSi2 on B-doped amorphous Si (a-Si). In this study, the effect of a-Si interlayers and substrate temperature during BaSi2 evaporation on the electrical characteristics and crystalline quality of the evaporated films were investigated. While no cracks were found in the BaSi2 films formed using hydrogenated a-Si deposited by plasma enhanced chemical vapor deposition (PECVD), the films formed with sputtered a-Si have cracks. In addition, BaSi2 films formed with a 600 °C substrate temperature using PECVD a-Si showed p-type characteristics. After a post-deposition anneal at 800 °C for 5 minutes, the film hole density was measured at 1.3×1019 cm-3 and boron was found to be uniformly distributed throughout the film. These results show that the proposed method using PECVD is promising to obtain p-BaSi2 thin films with high hole density for p-BaSi2/n-type crystalline Si heterojunction solar cells.