Research paperComputational DFTDielectric response in twisted MoS₂ bilayer facilitated by spin-orbit coupling effectYu-Hao Shen, Jun-Ding Zheng, Wen-Yi Tong, Zhi-Qiang Bao et al.2025·10.48550/arxiv.2403.12475·arXiv:2403.12475AbstractTwisted van der Waals bilayers offer ideal two-dimensional (2D) platforms for exploring the interplay between spin and charge degrees of freedom. In twisted MoS₂ bilayers with two distinct commensurate stackings, first-principles calculations show that an out-of-plane electric field produces markedly different dielectric responses depending on stacking. The effect is traced to planar charge redistribution associated with spin-orbit coupling (SOC): Rashba SOC generates an out-of-plane pseudo-spin current that produces opposite in-plane electric polarization tendencies in the two stackings, leading to amplified or suppressed dielectric response.Read more
Twisted bilayer MoS₂ commensurate supercell with H-type-like stacking.No measurements recordedSimulated Supercell DftMoS₂Studied MaterialExpand
Twisted bilayer MoS₂ commensurate supercell with R-type-like stacking.No measurements recordedSimulated Supercell DftMoS₂Studied MaterialExpand
Monolayer 2H-MoS₂ reference structure used to report the optimized lattice constant.1 propertySimulated Supercell DftMoS₂Studied MaterialExpand
Research paperComputational DFTDielectric response in twisted MoS₂ bilayer facilitated by spin-orbit coupling effectYu-Hao Shen, Jun-Ding Zheng, Wen-Yi Tong, Zhi-Qiang Bao et al.2025·10.48550/arxiv.2403.12475·arXiv:2403.12475AbstractTwisted van der Waals bilayers offer ideal two-dimensional (2D) platforms for exploring the interplay between spin and charge degrees of freedom. In twisted MoS₂ bilayers with two distinct commensurate stackings, first-principles calculations show that an out-of-plane electric field produces markedly different dielectric responses depending on stacking. The effect is traced to planar charge redistribution associated with spin-orbit coupling (SOC): Rashba SOC generates an out-of-plane pseudo-spin current that produces opposite in-plane electric polarization tendencies in the two stackings, leading to amplified or suppressed dielectric response.Read more
Twisted bilayer MoS₂ commensurate supercell with H-type-like stacking.No measurements recordedSimulated Supercell DftMoS₂Studied MaterialExpand
Twisted bilayer MoS₂ commensurate supercell with R-type-like stacking.No measurements recordedSimulated Supercell DftMoS₂Studied MaterialExpand
Monolayer 2H-MoS₂ reference structure used to report the optimized lattice constant.1 propertySimulated Supercell DftMoS₂Studied MaterialExpand
Research paperComputational DFTDielectric response in twisted MoS₂ bilayer facilitated by spin-orbit coupling effectYu-Hao Shen, Jun-Ding Zheng, Wen-Yi Tong, Zhi-Qiang Bao et al.2025·10.48550/arxiv.2403.12475·arXiv:2403.12475AbstractTwisted van der Waals bilayers offer ideal two-dimensional (2D) platforms for exploring the interplay between spin and charge degrees of freedom. In twisted MoS₂ bilayers with two distinct commensurate stackings, first-principles calculations show that an out-of-plane electric field produces markedly different dielectric responses depending on stacking. The effect is traced to planar charge redistribution associated with spin-orbit coupling (SOC): Rashba SOC generates an out-of-plane pseudo-spin current that produces opposite in-plane electric polarization tendencies in the two stackings, leading to amplified or suppressed dielectric response.Read more
Twisted bilayer MoS₂ commensurate supercell with H-type-like stacking.No measurements recordedSimulated Supercell DftMoS₂Studied MaterialExpand
Twisted bilayer MoS₂ commensurate supercell with R-type-like stacking.No measurements recordedSimulated Supercell DftMoS₂Studied MaterialExpand
Monolayer 2H-MoS₂ reference structure used to report the optimized lattice constant.1 propertySimulated Supercell DftMoS₂Studied MaterialExpand
Research paperComputational DFTDielectric response in twisted MoS₂ bilayer facilitated by spin-orbit coupling effectYu-Hao Shen, Jun-Ding Zheng, Wen-Yi Tong, Zhi-Qiang Bao et al.2025·10.48550/arxiv.2403.12475·arXiv:2403.12475AbstractTwisted van der Waals bilayers offer ideal two-dimensional (2D) platforms for exploring the interplay between spin and charge degrees of freedom. In twisted MoS₂ bilayers with two distinct commensurate stackings, first-principles calculations show that an out-of-plane electric field produces markedly different dielectric responses depending on stacking. The effect is traced to planar charge redistribution associated with spin-orbit coupling (SOC): Rashba SOC generates an out-of-plane pseudo-spin current that produces opposite in-plane electric polarization tendencies in the two stackings, leading to amplified or suppressed dielectric response.Read more
Twisted bilayer MoS₂ commensurate supercell with H-type-like stacking.No measurements recordedSimulated Supercell DftMoS₂Studied MaterialExpand
Twisted bilayer MoS₂ commensurate supercell with R-type-like stacking.No measurements recordedSimulated Supercell DftMoS₂Studied MaterialExpand
Monolayer 2H-MoS₂ reference structure used to report the optimized lattice constant.1 propertySimulated Supercell DftMoS₂Studied MaterialExpand
