Manipulation of spin transport in graphene/transition metal dichalcogenide heterobilayers upon twisting

Armando Pezo, Zeila Zanolli, Nils Wittemeier, Pablo Ordejón, Adalberto Fazzio, Stephan Roche, Jose H. Garcia*

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

Abstract

Proximity effects between layered materials trigger a plethora of novel and exotic quantum transport phenomena. Besides, the capability to modulate the nature and strength of proximity effects by changing crystalline and interfacial symmetries offers a vast playground to optimize physical properties of relevance for innovative applications. In this work, we use large-scale first principles calculations to demonstrate that strain and twist-angle strongly vary the spin–orbit coupling (SOC) in graphene/transition metal dichalcogenide heterobilayers. Such a change results in a modulation of the spin relaxation times by up to two orders of magnitude. Additionally, the relative strengths of valley-Zeeman and Rashba SOC can be tailored upon twisting, which can turn the system into an ideal Dirac–Rashba regime or generate transitions between topological states of matter. These results shed new light on the debated variability of SOC and clarify how lattice deformations can be used as a knob to control spin transport. Our outcomes also suggest complex spin transport in polycrystalline materials, due to the random variation of grain orientation, which could reflect in large spatial fluctuations of SOC fields.

Original languageEnglish
Article number015008
Journal2D Materials
Volume9
Issue number1
DOIs
Publication statusPublished - Jan 2022

Bibliographical note

Funding Information:
A P was supported in part by the Coordenaoção de Aperfeiçoamento de Pessoal de Nível Superior—Brasil (CAPES)—Finance Code 001. A F was supported by FAPESP (Grant 16/14011-2), J H G and S R were supported by the European Union Horizon 2020 research and innovation programme under Grant Agreement No. 881603 (Graphene Flagship). ICN2 is funded by the CERCA Programme/Generalitat de Catalunya (Grant 2017SGR1506), and is supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706). Z Z acknowledges financial support by the Ramon y Cajal program RYC-2016-19344 (MINECO/AEI/FSE, UE). Z Z, N W, and P O acknowledge support from the EC H2020-INFRAEDI-2018-2020 MaX ‘Materials Design at the Exascale’ CoE (Grant No. 824143) and Spanish MCIU/AEI (Grant No. PGC2018-096055-B-C43). Z Z acknowledges the Netherlands Sector Plan program 2019–2023. N W has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 754558. Z Z and N W acknowledge the computer resources at MareNostrum and the technical support provided by Barcelona Supercomputing Center (FI-2020-1-0014). We acknowledge PRACE for awarding us access to MareNostrum 4 at Barcelona Supercomputing Center (BSC), Spain (OptoSpin Project ID. 2020225411).

Publisher Copyright:
© 2021 IOP Publishing Ltd

Funding

A P was supported in part by the Coordenao??o de Aperfei?oamento de Pessoal de N?vel Superior?Brasil (CAPES)?Finance Code 001. A F was supported by FAPESP (Grant 16/14011-2), J H G and S R were supported by the European Union Horizon 2020 research and innovation programme under Grant Agreement No. 881603 (Graphene Flagship). ICN2 is funded by the CERCA Programme/Generalitat de Catalunya (Grant 2017SGR1506), and is supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706). Z Z acknowledges financial support by the Ramon y Cajal program RYC-2016-19344 (MINECO/AEI/FSE, UE). Z Z, N W, and P O acknowledge support from the EC H2020-INFRAEDI-2018-2020 MaX ?Materials Design at the Exascale? CoE (Grant No. 824143) and Spanish MCIU/AEI (Grant No. PGC2018-096055-B-C43). Z Z acknowledges the Netherlands Sector Plan program 2019?2023. N W has received funding from the European Union?s Horizon 2020 research and innovation programme under the Marie Sk?odowska-Curie Grant Agreement No. 754558. Z Z and N W acknowledge the computer resources at MareNostrum and the technical support provided by Barcelona Supercomputing Center (FI-2020-1-0014). We acknowledge PRACE for awarding us access to MareNostrum 4 at Barcelona Supercomputing Center (BSC), Spain (OptoSpin Project ID. 2020225411).

Keywords

  • 2D materials
  • Graphene
  • Quantum transport
  • Spin transport
  • Spintronics
  • VdW heterostructrures

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