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Title: Symmetry-driven persistent spin texture for the two-dimensional nonsymmorphic CdTe and ZnTe crystal structures

Journal Article · · Physical Review. B

In this paper, two nonsymmorphic two-dimensional structures of CdTe and ZnTe are modeled, and using state-of-the-art density functional theory with the group theory of solids, their symmetry-enforced electronic properties are studied. The in-plane ferroelectricity coupled with strong spin-orbit coupling induces a unidirectional out-of-plane Rashba spin-orbit field that can host a momentum-independent uniform spin configuration known as persistent spin texture (PST) at the Brillouin zone center. PST in these structures is found to be robust against external perturbations such as strain, structural distortion, and independent of layer thickness. These unprecedented intrinsic spin transport properties hold utmost importance in spintronics, as the experimental stringent condition of equal Rashba and Dresselhaus constants [Phys. Rev. Lett. 90, 146801 (2003)] is eliminated. The calculated persistent spin helix wavelength of <~5 nm paves the way for developing next-generation nanosized nonballistic spin field-effect transistors compared with micrometer-sized GaAs/AlGaAs quantum wells. Further, these materials exhibit finite spin Hall conductivity at the band edges and hence can be used in ferromagnet-free spin Hall transistors. Although CdTe and ZnTe systems have been widely studied for photocatalysis and solar cell applications over the past few decades, their potential application in spintronic devices has not been explored. Mono/few layers of CdTe and ZnTe synthesized from (110) facets of bulk zinc-blende crystals [Nat. Commun. 3, 1057 (2012)] satisfy all symmetry operations of the nonsymmorphic space group and hence can be considered ideal materials to verify our theoretical results experimentally.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Virginia Commonwealth Univ., Richmond, VA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)
Grant/Contract Number:
AC02-05CH11231; FG02-96ER45579
OSTI ID:
2419472
Journal Information:
Physical Review. B, Journal Name: Physical Review. B Journal Issue: 8 Vol. 108; ISSN 2469-9950; ISSN PRBMDO
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (107)

An Automated System for Strain Engineering and Straintronics of 2D Materials journal August 2022
Strain engineering of two‐dimensional materials: Methods, properties, and applications journal March 2021
19·9%-efficient ZnO/CdS/CuInGaSe 2 solar cell with 81·2% fill factor
  • Repins, Ingrid; Contreras, Miguel A.; Egaas, Brian
  • Progress in Photovoltaics: Research and Applications, Vol. 16, Issue 3 https://doi.org/10.1002/pip.822
journal May 2008
Strain-induced direct–indirect bandgap transition and phonon modulation in monolayer WS2 journal August 2015
Valleytronics in transition metal dichalcogenides materials journal August 2019
Experimental nanomechanics of 2D materials for strain engineering journal February 2021
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
A layer-by-layer study of CdTe(110) surface Debye temperature and thermal vibrations by low energy electron diffraction journal July 1999
wannier90: A tool for obtaining maximally-localised Wannier functions journal May 2008
PyProcar: A Python library for electronic structure pre/post-processing journal June 2020
SCDM-k: Localized orbitals for solids via selected columns of the density matrix journal April 2017
Weyl points and Dirac lines protected by multiple screw rotations journal June 2017
First principles phonon calculations in materials science journal November 2015
Past, present and future of the thin film CdTe/CdS solar cells journal November 2018
Few-layer graphene under high pressure: Raman and X-ray diffraction studies journal January 2013
Recent Advances in Graphene-like 2D Materials for Spintronics Applications journal September 2019
Hexagonal Planar CdS Monolayer Sheet for Visible Light Photocatalysis journal March 2016
Coupled Spin-Valley, Rashba Effect, and Hidden Spin Polarization in WSi2N4 Family journal February 2023
Two-Dimensional Giant Tunable Rashba Semiconductors with Two-Atom-Thick Buckled Honeycomb Structure journal December 2020
Enhanced Berry Curvature Dipole and Persistent Spin Texture in the Bi(110) Monolayer journal November 2021
Ferroelectric Control of the Spin Texture in GeTe journal January 2018
Spin-Current Modulation in Hexagonal Buckled ZnTe and CdTe Monolayers for Self-Powered Flexible-Piezo-Spintronic Devices journal August 2021
Selective Photocatalytic CO 2 Reduction in Water by Electrostatic Assembly of CdS Nanocrystals with a Dinuclear Cobalt Catalyst journal October 2018
Piezotronic Effect on Rashba Spin–Orbit Coupling in a ZnO/P3HT Nanowire Array Structure journal January 2018
Emerging Photoluminescence in Monolayer MoS2 journal April 2010
Valleytronics in 2D materials journal August 2016
Emergence of the persistent spin helix in semiconductor quantum wells journal April 2009
Pressure-induced commensurate stacking of graphene on boron nitride journal October 2016
Prediction of intrinsic two-dimensional ferroelectrics in In2Se3 and other III2-VI3 van der Waals materials journal April 2017
Fabrication of flexible and freestanding zinc chalcogenide single layers journal January 2012
New perspectives for Rashba spin–orbit coupling journal August 2015
Single-layer MoS2 transistors journal January 2011
Direct determination of spin–orbit interaction coefficients and realization of the persistent spin helix symmetry journal July 2014
Spin-injection Hall effect in a planar photovoltaic cell journal August 2009
Direct mapping of the formation of a persistent spin helix journal August 2012
Strain engineering of 2D semiconductors and graphene: from strain fields to band-structure tuning and photonic applications journal November 2020
Persistent spin texture enforced by symmetry journal July 2018
Prediction of ferroelectricity-driven Berry curvature enabling charge- and spin-controllable photocurrent in tin telluride monolayers journal September 2019
Purely in-plane ferroelectricity in monolayer SnS at room temperature journal May 2020
Nonsymmorphic symmetry-protected band crossings in a square-net metal PtPb4 journal March 2022
Comprehensive search for topological materials using symmetry indicators journal February 2019
Synthesis of uniform single layer WS2 for tunable photoluminescence journal November 2017
How we proposed the spin transistor journal November 2018
Emergence of electric polarity in BiTeX (X = Br and I) monolayers and the giant Rashba spin splitting journal January 2014
A 2D nonsymmorphic Dirac semimetal in a chemically modified group-VA monolayer with a black phosphorene structure journal January 2019
Exceptional mechano-electronic properties in the HfN2 monolayer: a promising candidate in low-power flexible electronics, memory devices and photocatalysis journal January 2020
First-principles screening of novel ferroelectric MXene phases with a large piezoelectric response and unusual auxeticity journal January 2020
Conflux of tunable Rashba effect and piezoelectricity in flexible magnesium monochalcogenide monolayers for next-generation spintronic devices journal January 2021
Electronic analog of the electro‐optic modulator journal February 1990
Thin‐film CdS/CdTe solar cell with 15.8% efficiency journal May 1993
A resonant spin lifetime transistor journal August 2003
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation journal July 2013
Perspectives for spintronics in 2D materials journal March 2016
Tunable giant Rashba-type spin splitting in PtSe 2 /MoSe 2 heterostructure journal November 2019
Emergence of the giant out-of-plane Rashba effect and tunable nanoscale persistent spin helix in ferroelectric SnTe thin films journal January 2020
Switchable S = 1/2 and J = 1/2 Rashba bands in ferroelectric halide perovskites journal April 2014
Theory of the electric polarization in crystals journal November 1992
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
Advanced capabilities for materials modelling with Quantum ESPRESSO journal October 2017
Wannier90 as a community code: new features and applications journal January 2020
Highly persistent spin textures with giant tunable spin splitting in the two-dimensional germanium monochalcogenides journal June 2021
Full-zone persistent spin textures with giant spin splitting in two-dimensional group IV–V compounds journal September 2022
Insights into selected 2D piezo Rashba semiconductors for self-powered flexible piezo spintronics: material to contact properties journal April 2023
Spin dynamics in rolled-up two-dimensional electron gases journal September 2007
Ultrathin SnTe films as a route towards all-in-one spintronics devices journal February 2020
Visible light active 2D C 3 N 4 -CdS hetero-junction photocatalyst for effective removal of azo dye by photodegradation journal March 2018
Spin-Orbit Coupling Effects in Zinc Blende Structures journal October 1955
Intrinsic persistent spin helix state in two-dimensional group-IV monochalcogenide M X monolayers ( M = Sn or Ge and X = S , Se, or Te) journal September 2019
Coupled spin and valley polarization in monolayer HfN2 and valley-contrasting physics at the HfN2−WSe2 interface journal September 2020
Theory of polarization of crystalline solids journal January 1993
Projector augmented-wave method journal December 1994
Spin orientation at semiconductor heterointerfaces journal February 1995
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Connectivity of energy bands in crystals journal March 1999
Anisotropic transport in a two-dimensional electron gas in the presence of spin-orbit coupling journal October 2003
Valley-dependent optoelectronics from inversion symmetry breaking journal June 2008
Gate-controlled persistent spin helix state in (In,Ga)As quantum wells journal August 2012
First-principles and spectroscopic studies of Bi(110) films: Thickness-dependent Dirac modes and property oscillations journal November 2014
Electronic structure and anisotropic Rashba spin-orbit coupling in monolayer black phosphorus journal July 2015
Phosphorene analogues: Isoelectronic two-dimensional group-IV monochalcogenides with orthorhombic structure journal August 2015
Nearly free electron states in MXenes journal May 2016
Nonsymmorphic symmetry-required band crossings in topological semimetals journal November 2016
Topological semimetals protected by off-centered symmetries in nonsymmorphic crystals journal February 2017
Manipulation of the large Rashba spin splitting in polar two-dimensional transition-metal dichalcogenides journal April 2017
Giant tunable Rashba spin splitting in a two-dimensional BiSb monolayer and in BiSb/AlN heterostructures journal April 2017
Calculation of intrinsic spin Hall conductivity by Wannier interpolation journal December 2018
Doping-induced persistent spin helix with a large spin splitting in monolayer SnSe journal February 2019
Intrinsic Spin Hall Effect in Platinum: First-Principles Calculations journal March 2008
Coupled Spin and Valley Physics in Monolayers of MoS 2 and Other Group-VI Dichalcogenides journal May 2012
Dirac Semimetals in Two Dimensions journal September 2015
Ferroelectricity and Phase Transitions in Monolayer Group-IV Monochalcogenides journal August 2016
Generalized Gradient Approximation Made Simple journal October 1996
Spin Hall Effect journal August 1999
Gate-Controlled Spin-Orbit Quantum Interference Effects in Lateral Transport journal February 2003
Nonballistic Spin-Field-Effect Transistor journal April 2003
Superlubricity of Graphite journal March 2004
Experimental Separation of Rashba and Dresselhaus Spin Splittings in Semiconductor Quantum Wells journal June 2004
Exact SU(2) Symmetry and Persistent Spin Helix in a Spin-Orbit Coupled System journal December 2006
Reversible out-of-plane spin texture in a two-dimensional ferroelectric material for persistent spin helix journal May 2019
Persistent spin helix in Rashba-Dresselhaus ferroelectric CsBiNb 2 O 7 journal August 2019
Stretchable Persistent Spin Helices in GaAs Quantum Wells journal July 2017
Macroscopic polarization in crystalline dielectrics: the geometric phase approach journal July 1994
Topological insulators and superconductors journal October 2011
Colloquium : Persistent spin textures in semiconductor nanostructures journal January 2017
Electric Field Effect in Atomically Thin Carbon Films journal October 2004
Spin Hall Effect Transistor journal December 2010
16.0% Efficient Thin-Film CdS/CdTe Solar Cells journal October 1997