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posted on 2025-09-24, 12:03 authored by Ihtesham Ghani, Shams Zaman, Hongbin Zhuo, Zeguo Tang, Danish Khan, muhammad arifSupplementary Materials:The calculations of the octahedral factor, cohesive energy, and exciton binding energy are provided in the Supplementary Materials. Table S1 summarizes the strain-dependent parameters of AlGeF3 and AlSnF3, including the band gap (E₉), lattice constants, ε₁(0), and R(0), along with a comparison to related compounds. In addition, Figure S1 presents the calculated band structures of (a) AlSnF3 and (b) AlGeF3 under various strain conditions (-4% to +4%), obtained using the HSE06 approximation.
