First-principles DFT study finds FABX3 perovskites exhibit high mechanical flexibility, ductility and anisotropy, with Br compounds stiffer than I and Pb stiffer than Sn due to B-X bond strength differences analyzed via pCOHP.
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Mechanical Properties of Formamidinium Halide Perovskites FABX3 (FA = CH(NH2)2; B = Pb, Sn; X = Br, I) From First-Principles
First-principles DFT study finds FABX3 perovskites exhibit high mechanical flexibility, ductility and anisotropy, with Br compounds stiffer than I and Pb stiffer than Sn due to B-X bond strength differences analyzed via pCOHP.