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Computational prediction of structural, electronic, and optical properties and phase stability of double perovskites K<sub>2</sub>SnX<sub>6</sub> (X = I, Br, Cl)

Un-Gi JongChair of Computational Materials DesignChol‐Jun YuChair of Computational Materials DesignYun-Hyok KyeChair of Computational Materials Design
2019en
ABI

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HSE + SOC were used to calculate the band structures of the cubic, tetragonal, and monoclinic phases of the double perovskites K<sub>2</sub>SnX<sub>6</sub> (X = I, Br, Cl).

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