Investigation of the intrinsic hidden spin texture and spin-state segregation in centrosymmetric monolayer dichalcogenide: effectiveness of the electric-field approach

Abstract

The emergence of hidden spin polarization in centrosymmetric nonmagnetic crystals due to local symmetry breaking has created new opportunities for potential spintronic applications and for enhancing our understanding of mechanisms to electrically manipulate spin-related phenomena. In this work, we investigate within density functional theory the properties of the hidden spin texture and spin-layer segregation in a prototype centrosymmetric dichalcogenide-monolayer material using an electric-field-based method. This method is shown to yield a precise and robust alternative to traditional layer-projected spin-polarization techniques for obtaining the intrinsic hidden spin textures in such materials. Moreover, it gives access at the same time to the spatial distribution within the monolayer of the individual spin-segregated states responsible for the hidden spin textures, not provided by other techniques. With this approach we determine and study the hidden spin textures of the upper valence bands of the PtTe2 monolayer together with the spatial behavior of the probability densities and spin polarization densities of the corresponding maximally segregated spin states. This combined study enabled by the electric-field method yields new insights into the mechanisms controlling the spin-layer segregation and resulting hidden spin texture in such systems. We also discuss the symmetry rules governing the shape in the Brillouin zone of the hidden spin texture, which can be straightforwardly predicted within the present framework.

arXiv commentPreprint 19 pages, 9 figures; Supplemental Material 11 pages, 8 figures

References in corpus (23)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Spintronics: Fundamentals and applications
• New Perspectives for Rashba Spin-Orbit Coupling
• Emergent Phenomena Induced by Spin-Orbit Coupling at Surfaces and Interfaces
• Hidden spin polarization in inversion-symmetric bulk crystals
• Direct observation of spin-polarised bulk bands in an inversion-symmetric semiconductor
• Ferroelectric control of the spin texture in germanium telluride
• Persistent Spin Textures in Semiconductor Nanostructures
• Persistent spin texture enforced by symmetry
• Radial spin texture in elemental tellurium with chiral crystal structure
• Observation of Fermi arc spin texture in TaAs
• Reversible spin texture in ferroelectric HfO2
• Uncovering and tailoring hidden Rashba spin-orbit splitting in centrosymmetric crystals
• The different shapes of spin textures as a journey through Brillouin zone chiral and polar symmetries
• Search and design of nonmagnetic centrosymmetric layered crystals with large local spin polarization
• Intrinsic circular polarization in centrosymmetric stacks of transition-metal dichalcogenides
• Zeeman-type spin splitting in non-magnetic three-dimensional compounds: Materials prediction and electrical control
• Observation of spin-momentum-layer locking in centrosymmetric BiOI
• Structural and magnetic response of CrI3 monolayer to electric field
• Chirality-induced spin texture switching in twisted bilayer graphene
• Hidden Physical Effects in Non-centrosymmetric Crystals
• Symmetry-assisted protection and compensation of hidden spin polarization in centrosymmetric systems
• Intrinsic and extrinsic spin-orbit coupling and spin relaxation in monolayer PtSe${}_2$