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Origins of charge density wave sliding-based switching in layered 1T-TaS2 materials from first principles

ORAL

Abstract

Recent experiments have shown that orthogonal current pulses alter the resistance of the low-temperature commensurate Star-of-David-type charge density wave (CDW) phase in bulk layered 1T-TaS2 [Maniv et al., unpublished]. Using first-principles density functional theory, we explore the origins of this resistive switching in terms of current-induced changes in metastable CDW stacking configurations, which alter their anisotropic conductivity. Calculating the anisotropy of band structures and transport properties for different stacking arrangements, as well as their energetics, allows us to build a hypothesis for resistivity switching through a repopulation of CDW stacking order. Our work leads to novel insights regarding the dynamics of CDWs in layered van der Waals materials and points to new energy-efficient ways to control logic and memory with an electric field. We acknowledge the DOE NPQC EFRC for funding and NERSC for computational resources.

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Publication: Maniv, E., Ravi, V., Haley, S., Weber, S.F., Analytis, J.G., Neaton, J.B., Metastable Slidetronic Switching in Bulk 1T-TaS2, unpublished (2021)<br>

Presenters

  • Vishal Ravi

    UC Berkeley

Authors

  • Vishal Ravi

    UC Berkeley

  • Eran Maniv

    University of California, Berkeley

  • Sophie F Weber

    University of California, Berkeley

  • Shannon C Haley

    University of California, Berkeley

  • Jonah B Haber

    University of California, Berkeley, University of California, Berkeley; Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.

  • James G Analytis

    University of California, Berkeley

  • Jeffrey B Neaton

    Lawrence Berkeley National Laboratory, University of California, Berkeley; Lawrence Berkeley National Laboratory; Kavli Energy NanoSciences Institute at Berkeley, Department of Physics, University of California, Berkeley; Materials Sciences Division, Lawrence Berkeley National Laboratory; Kavli Energy NanoScience Institute at Berkeley, Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720; Kavli Energy Nano