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Induced out-of-plane piezoelectricity and giant Rashba spin splitting in Janus WSiZ3H (Z = N, P, As) monolayers toward next-generation electronic devices.
- Source :
- Journal of Applied Physics; 2/21/2024, Vol. 135 Issue 7, p1-8, 8p
- Publication Year :
- 2024
-
Abstract
- Two-dimensional (2D) piezoelectric nanomaterials have widely been studied recently due to their promise for various applications in technology. Investigation of vertical piezoelectricity will contribute to a deeper understanding of the intrinsic mechanism of piezoelectric effects in the 2D structures. In this paper, we report a first-principle study for the structural, electronic, piezoelectric, and transport properties of new-designed Janus WSi Z 3 H (Z = N, P, and As) monolayers. The structural stability of WSi Z 3 H is theoretically confirmed based on the energetic, phonon dispersion, and also elastic analyses. At the ground state, while WSiN 3 H is an indirect semiconductor, both WSiP 3 H and WSiAs 3 H are predicted to be direct semiconductors with smaller bandgaps. When the spin-orbit coupling effects are taken into account, a large valley spin splitting is observed at the K point of WSi Z 3 H materials. Interestingly, a giant Rashba spin splitting is found in WSiP 3 H and WSiAs 3 H with Rashba constant α R up to 770.91 meV Å. Additionally, our first-principles study indicates that Janus WSi Z 3 H monolayers are piezoelectric semiconductors with high out-of-plane piezoelectric coefficient | d 31 | , up to 0.15 pm/V, due to the broken mirror symmetry. Besides, with high electron mobilities and also possessing direct band gaps, WSiP 3 H and WSiAs 3 H monolayers are favorable for applications in optoelectronics. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00218979
- Volume :
- 135
- Issue :
- 7
- Database :
- Complementary Index
- Journal :
- Journal of Applied Physics
- Publication Type :
- Academic Journal
- Accession number :
- 175563984
- Full Text :
- https://doi.org/10.1063/5.0190799