Preprint
Jul 2026
A DFT and Machine Learning-Assisted Study on the Lattice Thermal Conductivity of LiCdSb for Thermoelectric Applications
By using first-principles density functional theory (DFT) and the Boltzmann transport equation, the corresponding electronic and thermoelectric properties of LiCdSb are calculated and the ZT value exceeding 1 at higher temperatures makes LiCdSb a promising material for high-temperature energy conversion.
R. Zosiamliana, L. Zuala, Tien Thanh Nguyen et al.
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