First-principles electron-phonon coupling calculations predict zT up to 1.53 at 900 K in 20 nm nanostructured LiZnAs and 1.0 in ScAgC under momentum relaxation time approximation.
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LiZnAs and ScAgC show direct bandgaps of 1.5 eV and 1.0 eV, high absorption coefficients, and SLME efficiencies of 32% and 31% at 0.4 μm thickness, positioning them as candidates for single-junction thin-film photovoltaics.
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Significant first-principles electron-phonon coupling effects in the LiZnAs and ScAgC half-Heusler thermoelectrics
First-principles electron-phonon coupling calculations predict zT up to 1.53 at 900 K in 20 nm nanostructured LiZnAs and 1.0 in ScAgC under momentum relaxation time approximation.
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Many-body \textit{ab initio} study of quasiparticles, optical excitations, and excitonic properties in LiZnAs and ScAgC for photovoltaic applications
LiZnAs and ScAgC show direct bandgaps of 1.5 eV and 1.0 eV, high absorption coefficients, and SLME efficiencies of 32% and 31% at 0.4 μm thickness, positioning them as candidates for single-junction thin-film photovoltaics.