First-principles insights into magneto-electronic and thermoelectric correlations in Fe- and Mn-doped Cs 2 SnI 6 vacancy-ordered double perovskites

Key Points

• The aim is to explore the effects of Fe and Mn doping on the electronic properties of Cs2SnI6.
• Analyzed spin-polarized band structures of doped Cs2SnI6.
• Compared the effects of Fe and Mn doping on electronic properties.
• Fe doping leads to half-metallicity, which is useful for spintronic devices.
• Mn doping maintains semiconducting characteristics, implying suitability for optoelectronic applications.