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Despite the exceeding 23\% photovoltaic efficiency achieved inorganic-inorganic hybrid perovskite solar cells obtaining, the stable materialswith desirable band gap are rare and are highly desired. With the aid offirst-principles calculations, we predict a new promising family of nontoxicinorganic double perovskites (DPs), namely, silicon (Si)-based halidesA$_{2}$SiI$_{6}$ (A = K, Rb, Cs; X = Cl, Br, I). This family containing theearth-abundant Si could be applied for perovskite solar cells (PSCs).Particularly A$_{2}$SiI$_{6}$ exhibits superb physical traits, includingsuitable band gaps of 0.84-1.15 eV, dispersive lower conduction bands, smallcarrier effective masses, wide photon absorption in the visible range.Importantly, the good stability at high temperature renders them as promisingoptical absorbers for solar cells.

First-principles prediction into robust high-performance photovoltaic double perovskites A$_{2}$SiI$_{6}$ (A = K, Rb, Cs)