Ca2Si(100) epitaxial films on the Si(111) substrate: Template growth, structural and optical properties

Thick epitaxial Ca2Si(100) films were first grown on Si(111) substrates by forming a sacrificial Mg2Si(111) template and converting it into the Ca2Si template. It was found that a temperature of 250 °C is sufficient to transfer it into the Ca2Si template with sufficient uniformity. During Ca and Si co-deposition at 250 °C, epitaxial Ca2Si(100) domains with two orientations are formed in a thin (100 nm) film, and increasing the substrate temperature to 300 °C leads to a deterioration in the Ca2Si crystalline quality due to a partial violation of its continuity and grain growth of the CaSi phase from Si substrate. An increase in the film thickness to 400 nm at 250 °C led to the appearance, in addition to the Ca2Si(100) epitaxial phase, of the second Ca2Si(010) epitaxial phase with both contributing to the LEED pattern. From the transmission and reflection spectra of the grown samples, it was found that Ca2Si film has a first direct interband transition at E1d = 1.095 ± 0.15 eV, strong defect adsorption lower 1.0 eV and dispersionless refractive index no ≤ 3.8. Eight Raman peaks and 6 FIR peaks were first registered and identified, which are in good agreement with theoretical calculations. The absorption coefficients characteristic of FIR peaks was determined, which can be used further in the quick estimation of the thickness of Ca2Si films through an intensity of FIR absorption peaks.