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.
These values are furthe r reduced as T increases due to enhanced phonon-phonon scat- tering, reaching ∼ 1.8 and 2.4 Wm − 1 K− 1, respectively, at 900 K
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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.