Anharmonicity Driven by Vacancy Ordering Unlocks High-performance Thermoelectric Conversion in Defective Chalcopyrites II-III${}_2$-VI${}_4$

Hui Zhang, Jincheng Yue, Jiongzhi Zheng +8

Defective chalcopyrites have recently emerged as promising thermoelectric materials because their ordered intrinsic vacancies can profoundly reshape both lattice dynamics and elect…