First principles studies of 2D transition metal dichalcogenides on 3D magnetic oxides

ORAL

Abstract

Monolayer transition metal dichalcogenides are desirable for new high-speed, low-power and miniaturized valley optoelectronics. One way to create valley polarization is via magnetic proximity coupling, facilitated by interfacing single-layer TMDs and magnetic substrates; this approach has recently been shown to generate significantly larger valley splitting than applied magnetic fields. However, the reported valley splitting is still relatively small and the details of the interface between TMDs and magnetic substrates are poorly understood. Using first principles and model calculations, we explore the structure of the TMD-oxide interface, and predict the magnitude of the valley splitting generated by proximity to magnetic substrates. We examine the most critical attributes of this interface and develop general design principles that connect the structure of TMD-oxide interfaces to functionality relevant for valleytronics.

*We acknowledge funding from the Air Force Office of Scientific Research Hybrid Materials MURI under award number FA9550-08-1-0480 and NERSC for computing resources.

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Presenters

  • Elizabeth Peterson

    • Physics, University of California, Berkeley

Authors

  • Elizabeth Peterson

    • Physics, University of California, Berkeley

  • Jeffrey B Neaton

    • Molecular Foundry, Lawrence Berkeley National Lab
    • University of California, Berkeley
    • Lawrence Berkeley National Laboratory
    • Molecular Foundry, Lawrence Berkeley National Laboratory
    • Department of Physics, University of California, Berkeley
    • UC Berkeley/Lawrence Berkeley Natl Lab
    • Lawrence Berkeley National Lab, Berkeley, CA
    • Physics, University of California, Berkeley
    • Molecular Foundry, LBNL; UC Berkeley; Kavli ENSI
    • Lawrence Berkeley National Laboratory, University of California - Berkeley, Kavli Energy NanoSciences Institute at Berkeley