Strong valence band convergence to enhance thermoelectric performance in PbSe with two chemically independent controls

• Main Authors: Luo, Zhong-Zhen, Cai, Songting, Hao, Shiqiang, Bailey, Trevor P., Spanopoulos, Ioannis, Luo, Yubo, Xu, Jianwei, Uher, Ctirad, Wolverton, Christopher, Dravid, Vinayak P., Yan, Qingyu, Kanatzidis, Mercouri G.
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2021
• Subjects: Engineering::Materials; Thermoelectric; Band Convergence
• Online Access: https://hdl.handle.net/10356/148335
• Institution: Nanyang Technological University

We present an effective approach to favorably modify the electronic structure of PbSe using Ag doping coupled with SrSe or BaSe alloying. The Ag 4d states make a contribution to in the top of the heavy hole valence band and raise its energy. The Sr and Ba atoms diminish the contribution of Pb 6s2 st...