The Debye temperature exhibits a decreasing trend as the A-site cation in the cubic structure is substituted from K to Rb and subsequently to Cs, as shown in Fig. 10(a) .
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Enhancement of photovoltaic and thermoelectric properties of A-site doped A<sub>3-<i>x</i></sub> A' <sub><i>x</i></sub> IO (A/A'=K, Rb, Cs) anti-perovskites with room temperature phonon stabilization: a DFT and molecular dynamics study.
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