Creating a three-dimensional intrinsic electric dipole on rotated CrI3 bilayers

Poudel, Shiva P.; Marmolejo-Tejada, Juan M.; Roll, Joseph E.; Mosquera, Martín A.; Barraza-Lopez, Salvador

doi:10.1103/physrevb.107.195128

Creating a three-dimensional intrinsic electric dipole on rotated CrI3 bilayers

Journal Article · Mon May 15 00:00:00 EDT 2023 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.107.195128· OSTI ID:2422913

^[1]; ^[2]; Roll, Joseph E. ^[1]; ^[2]; ^[1]

Univ. of Arkansas, Fayetteville, AR (United States)
Montana State Univ., Bozeman, MT (United States)

Here two-dimensional (2D) materials are being explored as a novel multiferroic platform. One of the most studied magnetoelectric multiferroic 2D materials are antiferromagnetically coupled (AFM) CrI₃ bilayers. Neglecting magnetism, those bilayers possess a crystalline point of inversion, which is only removed by the antiparallel spin configuration among its two constituent monolayers. The resulting intrinsic electric dipole on those bilayers has a magnitude no larger than 0.04 pC/m, it points out of plane, and it reverts direction when the Ising-like-chromium spins are flipped (toward opposite layers versus away from opposite layers). The combined presence of antiferromagnetism and a weak intrinsic electric dipole makes this material a two-dimensional magnetoelectric multiferroic. Here, we remove the crystalline center of inversion of the bilayer by a relative 60° rotation of its constituent monolayers. This process enhances the out-of-plane intrinsic electric dipole tenfold with respect to its magnitude in the nonrotated AFM bilayer and also creates an even stronger and switchable in-plane intrinsic electric dipole. The ability to create a three-dimensional electric dipole is important because it enhances the magnetoelectric coupling on this experimentally accessible 2D material, which is explicitly calculated here as well.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: National Science Foundation (NSF); USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 2422913

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 19 Vol. 107; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Creating a three-dimensional intrinsic electric dipole on rotated CrI3 bilayers

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