凝聚态物理
异质结
自旋电子学
范德瓦尔斯力
电场
杰纳斯
材料科学
密度泛函理论
自旋(空气动力学)
带隙
应变工程
拉希巴效应
物理
纳米技术
量子力学
铁磁性
相变
热力学
分子
作者
Shubham Patel,Urmimala Dey,Narayan Prasad Adhikari,A. Taraphder
出处
期刊:Physical review
日期:2022-07-18
卷期号:106 (3)
被引量:21
标识
DOI:10.1103/physrevb.106.035125
摘要
The compositional as well as structural asymmetries in Janus transition metal dichalcogenides (J-TMDs) and their van der Waals heterostructures (vdW HSs) induce an intrinsic Rashba spin-splitting. We investigate the variation of band-gaps and the Rashba parameter in three different Janus heterostructures having AB-stacked Mo$XY$/W$XY$ ($X$, $Y$ = S, Se, Te; $X\neq Y$) geometry with a $Y-Y$ interface, using first-principles calculations. We consider the effect of external electric field and in-plane biaxial strain in tuning the strength of the intrinsic electric field, which leads to remarkable modifications of the band-gap and the Rashba spin-splitting. In particular, it is found that the positive applied field and compressive in-plane biaxial strain can lead to a notable increase in the Rashba spin-splitting of the valence bands about the $\Gamma$-point. Moreover, our \textit{ab-initio} density functional theory (DFT) calculations reveal the existence of a type-II band alignment in these heterostructures, which remains robust under positive external field and biaxial strain. These suggest novel ways of engineering the electronic, optical, and spin properties of J-TMD van der Waals heterostructures holding a huge promise in spintronic and optoelectronic devices. Detailed $\mathbf{k\cdot p}$ model analyses have been performed to investigate the electronic and spin properties near the $\Gamma$ and K points of the Brillouin zone.
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