Simultaneous retention of cubic phase and high electron density

Determine whether cubic Cs₂AgIrCl₆ and Rb₂AgIrCl₆ can retain electron concentrations near 10²⁰ cm⁻³ through repeated heating and cooling without losing phase stability or the transport properties required for high thermoelectric performance.

Background

The high calculated zT values require two conditions in the same operating sample: maintenance of the cubic phase at elevated temperature and controlled electron doping near 10²⁰ cm⁻³. The paper notes that available calculations do not establish long-term high-temperature stability, practical dopability, or compatibility between these requirements. Synthesis and thermal-cycling experiments are therefore needed to resolve whether the structural and electronic conditions can coexist.

References

Synthesis and thermal-cycling experiments must therefore determine whether the cubic phases and electron concentrations near 10{20}\,\mathrm{cm{-3} can be maintained together.

Predicted High $n$-Type $zT$ and Ultralow Lattice Thermal Conductivity in A$_2$AgIrCl$_6$ (A = Cs, Rb)  (2608.23212 - Kulhari et al., 24 Aug 2026) in Section 3.4, Carrier transport and thermoelectric performance