异质结
点反射
材料科学
范德瓦尔斯力
热电效应
塞贝克系数
凝聚态物理
半导体
拉希巴效应
密度泛函理论
电子能带结构
光电子学
量子力学
热导率
物理
自旋电子学
分子
铁磁性
复合材料
作者
Qinghang Tang,Xin Li,Rui Hu,Shihao Han,Hongmei Yuan,David J. Singh,Huijun Liu,Jiong Yang
标识
DOI:10.1016/j.mtphys.2022.100788
摘要
The electronic structures of semiconductors and their related transport properties can be tuned via the Rashba effect, which improves thermoelectric performance. The Rashba effect is caused by spin–orbit coupling and breaking of inversion symmetry. Here, we engineer the Rashba effect by constructing two-dimensional (2D) van der Waals heterostructures (vdWHs) Sb/As and Bi/Sb. These break the z-inversion symmetry by removing the reflection along the z-direction, affording Rashba splitting at the top of the valence band. The resulting complex energy bands exhibit enhanced electronic density of states near the band edge and maintain the electrical conductivity. The Sb/As heterostructure has Seebeck coefficients 1.5 times larger than those of the corresponding monolayers, and the Bi/Sb system has an enhanced Seebeck coefficient at high carrier concentrations. Our work demonstrates that 2D vdWHs can be used to induce Rashba splitting with band structure changes that yield favorable thermoelectric properties. This offers a new strategy for designing novel 2D functional materials.
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