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Strong anharmonicity and medium-temperature thermoelectric efficiency in antiperovskites Ca3XN (X = P, As, Sb, Bi) compounds
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Jan 1, 2024
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Abstract
In this work, we employ density functional theory (DFT) calculations to systematically investigate the thermal and electronic transport properties, as well as the thermoelectric performance, of antiperovskite (APV) compounds within...
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