Search and design of nonmagnetic centrosymmetric layered crystals with large local spin polarization

Abstract

Until recently, spin-polarization in nonmagnetic materials was the exclusive territory of non- centrosymmetric structures. It was recently shown that a form of hidden spin polarization (named the Rashba-2 or R-2 effect) could exist in globally centrosymmetric crystals provided the individual layers belong to polar point group symmetries. This realization could considerably broaden the range of materials that might be considered for spin-polarization spintronic applications to include the hitherto forbidden spintronic compound that belong to centrosymetric symmetries. Here we take the necessary steps to transition from such general, material-agnostic condensed matter theory arguments to material-specific design principles that could aid future laboratory search of R-2 materials. Specifically, we (i) classify different prototype layered structures that have been broadly studied in the literature in terms of their expected R-2 behavior, including the Bi2Se3-structure type (a prototype topological insulator), MoS2-structure type (a prototype valleytronic compound) and LaBiOS2-structure type (a host of superconductivity upon doping); (ii) formulate the properties that ideal R-2 compounds should have in terms of combination of their global unit cell symmetries with specific point group symmetries of their constituent sectors; (iii) use first-principles band theory to search for compounds from the prototype family of LaOBiS2-type structures that satisfy these R-2 design metrics. We initially consider both stable and hypothetical compounds to establish an understanding of trends of R-2 with composition, and then indicate the predictions that are expected to be stable and synthesizable. We predict large spin splittings (up to ~ 200 meV for holes in LaOBiTe2) as well as surface Rashba states. Experimental testing of such predictions is called for.

arXiv comment29 pages, 6 figures, 2 tables

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Cited by in corpus (26)

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• Role of hidden spin polarization in non-reciprocal transport of antiferromagnets
• Coupled spin-valley, Rashba effect and hidden persistent spin polarization in WSi${}_2$N${}_4$ family
• Observation of Chiral Surface Excitons in a Topological Insulator Bi${}_2$Se${}_3$
• Polytypism in LaOBiS2-type compounds based on different three-dimensional stacking sequences of two-dimensional BiS2 layers
• Zeeman-type spin splitting in non-magnetic three-dimensional compounds: Materials prediction and electrical control
• Observation of spin-momentum-layer locking in centrosymmetric BiOI
• Predicted electronic markers for polytypes of LaOBiS2 examined via angular resolved photoemission spectroscopy
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• Ferro-lattice-distortions and charge fluctuations in superconducting LaO${}_{1-x}$F${}_x$BiS${}_2$
• Kramers' revenge
• Magnetic parity violation and parity-time-reversal-symmetric magnets
• Two-dimensional Dirac semiconductor and its material realization
• Interplay of crystal thickness and in-plane anisotropy and evolution of quasi-one dimensional electronic character in ReSe${}_2$
• NMR in an electric field: A bulk probe of the hidden spin and orbital polarizations
• Matter with apparent and hidden spin physics
• Enhancement of Giant Rashba Splitting in BiTeI under Asymmetric Interlayer Interaction
• Transverse Rashba Effect and Unconventional Magnetocrystalline Anisotropy in Double-Gd-adsorbed Zigzag Graphene Nanoribbon
• The upper critical field in the BiCh2-based superconductors CeOBiS1.7Se0.3 and PrO0.5F0.5BiS2-xSex (x = 0, 0.3)
• Extremely high upper critical field in BiCh${}_2$-based (Ch: S and Se) layered superconductor LaO${}_{0.5}$F${}_{0.5}$BiS${}_{2-x}$Se${}_x$ ($x$ = 0.22 and 0.69)
• Investigation of the intrinsic hidden spin texture and spin-state segregation in centrosymmetric monolayer dichalcogenide: effectiveness of the electric-field approach
• Intrinsic Mechanism for Magneto-Thermal Conductivity Oscillations in Spin-Orbit-Coupled Nodal Superconductors