Molecular beam epitaxy, electronic structure and phonon properties of Ca5Si3 films on Si(111)

Galkin, Nikolay G. and Galkin, Konstantin N. and Kropachev, Oleg V. and Dotsenko, Sergey A. and Migas, Dmitri B. and Safronov, Igor V. and Fogarassy, Zsolt and Cora, Ildikó and Pécz, Béla and Hu, Junhua (2025) Molecular beam epitaxy, electronic structure and phonon properties of Ca5Si3 films on Si(111). MATERIALS LETTERS, 405. No. 139694. ISSN 0167-577X (In Press)

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Abstract

The growth of a single-phase epitaxial Ca5Si3 film of 40 nm by MBE on a Si(111) substrate at 500 °C was performed for the first time. Structural features of the Ca5Si3 film were investigated by HRTEM and GIXRD. Calculations of the absorption coefficient of Ca5Si3 films from optical reflectance and transmittance spectra revealed noticeable transparency (up to 63 %) in the mid-IR region and free-carrier absorption in the far-IR region, that was confirmed by metallic conductivity. The phonon structure of Ca5Si3 with nine Raman peaks (101, 110, 125, 162, 192, 220, 241, 342 and 379 cm−1) was identified for the first time. The obtained experimental results are also supplemented by data of ab initio calculations, which point out Ca5Si3 to be a promising material for the transparent contact in photonic devices.

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