Sen Xie, Xiaolin Wan, Yasong Wu, Chunxia Li, Fan Yan, Yujie Ouyang, Haoran Ge, Xianda Li, Yong Liu, Rui Wang, Michael Y Toriyama, G Jeffrey Snyder, Jiong Yang, Qingjie Zhang, Wei Liu, Xinfeng Tang
Topological electronic transition is the very promising strategy for achieving high band degeneracy (NV ) and for optimizing thermoelectric performance. Herein, this work verifies in p-type Mg3 Sb2- x Bix that topological electronic transition could be the key mechanism responsible for elevating the NV of valence band edge from 1 to 6, leading to much improved thermoelectric performance. Through comprehensive spectroscopy characterizations and theoretical calculations of electronic structures, the topological electronic transition from trivial semiconductor is unambiguously demonstrated to topological semimetal of Mg3 Sb2- x Bix with increasing the Bi content, due to the strong spin-orbit coupling of Bi and the band inversion...
April 23, 2024: Advanced Materials