English

Coupled spin-valley, Rashba effect and hidden persistent spin polarization in WSi$_2$N$_4$ family

Materials Science 2023-03-01 v1

Abstract

The new two-dimensional materials, MoSi2_2N4_4 and WSi2_2N4_4 are experimentally synthesized successfully and various similar structures are predicted theoretically. Here, we report the electronic properties with a special focus on the band splitting in WA2_2Z4_4 (A=Si, Ge; Z=N, P, As), using state-of-the-art density functional theory and many-body perturbation theory (within the framework of G0_0W0_0 and BSE). Due to the broken inversion symmetry and strong spin-orbit coupling effects, we detect coupled spin-valley effects at the corners of the first Brillouin zone (BZ). Additionally, we observe cubically and linearly split bands around the Γ\Gamma and M points, respectively. Interestingly, the in-plane mirror symmetry (σh\sigma_h) and the reduced symmetry of arbitrary kk-point, enforce the persistent spin textures (PST) to occur in full BZ. We induce the Rashba splitting by breaking the σh\sigma_h through an out-of-plane external electric field (EEF). The inversion asymmetric site point group of the W atom introduces the hidden spin polarization in centrosymmetric layered bulk counterparts. Therefore, the spin-layer locking effect, namely, energy degenerate opposite spins spatially segregated in the top and bottom W layers, has been identified. Our low energy k.pk.p model demonstrates that the PST along the M-K line is robust to EEF and layer thickness, making them suitable for applications in spintronics and valleytronics.

Keywords

Cite

@article{arxiv.2208.00127,
  title  = {Coupled spin-valley, Rashba effect and hidden persistent spin polarization in WSi$_2$N$_4$ family},
  author = {Sajjan Sheoran and Deepika Gill and Ankita Phutela and Saswata Bhattacharya},
  journal= {arXiv preprint arXiv:2208.00127},
  year   = {2023}
}