ArticleRSC advances2026
Competing bonding and anharmonicity control piezoelectricity and thermal transport in janus BrSbX monolayers.
Article in RSC advances, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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6 authors.
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Abstract
We show how competing bonding strength and lattice anharmonicity govern piezoelectricity and thermal transport in Janus 1T-BrSbX monolayers (X = S, Se, Te). Using density-functional theory and density-functional perturbation theory, combined with machine-learning-accelerated third-order force constants and Boltzmann transport calculations, we map composition property relationships within a single symmetry family. A bonding analysis (COHP) reveals a monotonic reduction in Sb-X covalency from S → Te, which tracks the piezoelectric stress response
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