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U. Schwingenschlögl

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Open access Sep 2026

Unraveling Four-Phonon Contributions to Thermoelectricity in Ba4Sb2Se and Ba4Sb2Te

We conduct a systematic study that couples first-principles lattice dynamics, including three- and four-phonon processes, with parameter-free electronic transport simulations to quantify the thermoelectric response of Ba4Sb2Se and Ba4Sb2Te. Four-phonon processes expand the anharmonic phase space and suppress the lattic...

A. Shafique, Eman Al Dawood, U. Schwingenschlögl et al. · 0 citations

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