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We thoroughly investigated Raman peaks of Sb- or Bi-doped Mg2Si single crystals grown by the vertical Bridgman techniques, and clarified the relationship between Raman peak shift and lattice strain using first-principles calculations. Rietveld analysis of powder X-ray diffraction revealed that the lattice constant increased monotonically with Sb and Bi doping amounts. Raman spectroscopy demonstrated that the F2g mode of Mg2Si (near 258 cm⁻¹) shifted to lower wavenumbers with increasing doping amounts. This peak shift was mainly attributed to the lattice strain, which was revealed by the First-principles calculations. These findings provide the usefulness of Raman spectroscopy for Mg2Si substrates.

Rights:

• Creative Commons BY Attribution 4.0 International
  

Keyword: silicide

Date published: 2025-06-07

Publisher: AIP Publishing

Journal:

• Journal of Applied Physics (ISSN: 00218979) vol. 137 issue. 21

Funding:

• Japan Society for the Promotion of Science JP23H01440
• Japan Society for the Promotion of Science JP22H00268
• Adaptable and Seamless Technology Transfer Program through Target-Driven R and D JPMJTR21RB
• Adaptable and Seamless Technology Transfer Program through Target-Driven R and D JPMJTR22R3
• Adaptable and Seamless Technology Transfer Program through Target-Driven R and D JPMJTR24R3

Manuscript type: Author's version (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.5530

First published URL: https://doi.org/10.1063/5.0273439

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Updated at: 2025-06-10 08:30:23 +0900

Published on MDR: 2025-06-10 08:19:19 +0900