A Gold(I) Oxide Double Perovskite: Ba2AuIO6

Oxide perovskites offer improved stability compared to halide perovskite compounds for optoelectronic applications. Here, we report the first gold-containing double perovskite, Ba2AuIO6, and compare it to Ba2AgIO6 and Ba2NaIO6. Ba2AuIO6 and Ba2AgIO6 exhibit a monoclinic distortion from the cubic perovskite structure possessed by Ba2NaIO6 and have similar lattice constants despite the nominally larger size of Au+ compared to Ag+. Ba2AgIO6 shows photoluminescence (PL) at 2.10 eV, and Ba2AuIO6 exhibits PL at 1.30 and 1.47 eV. As prepared, both compounds appear stable under visible light at room temperature but decompose when subjected to gentle heating followed by illumination. Our data suggest that this behavior is due to the presence of -OH defects in the crystal structures. This discovery provides a new route to semiconductors with a near-IR band gap and identifies engineering challenges that must be addressed to use oxide perovskites for optoelectronic devices.

Automated summary

Oxide perovskites show better stability than halide perovskite compounds in optoelectronic applications. The discovery of Ba2AuIO6, a new gold-containing double perovskite, provides a new pathway for semiconductors with a near-IR band gap but also highlights the challenge of addressing -OH defects for use in optoelectronic devices.