Helimagnetism in the candidate ferroelectric CrI2

Schneeloch, John A.; Liu, Shunshun; Balachandran, Prasanna V.; Zhang, Qiang; Louca, Despina

doi:10.1103/physrevb.109.144403

Title: Helimagnetism in the candidate ferroelectric CrI 2

Journal Article · 03 April 2024 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.109.144403 · OSTI ID:2455071

^[1];

^[1]; Zhang, Qiang ^[2]; Louca, Despina ^[1]

Univ. of Virginia, Charlottesville, VA (United States)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

CrI₂ is a van der Waals (vdW) layered material that exhibits helimagnetism that propagates along ribbon chains. This is determined from neutron time-of-flight diffraction measurements. Be low T_N = 17 K in the orthorhombic structure, a screw-like helimagnetic order develops with an incommensurate wavevector of q ≈ (0.2492, 0, 0) at 8 K. Using density functional theory (DFT)+U calculations, the J₁-J₂ model is leveraged to describe the helimagnetism, where J₁(> 0) and J₂(< 0) correspond, respectively, to a ferromagnetic nearest neighbor (NN) and antiferromagnetic next nearest neighbor (NNN) intrachain interaction. In conclusion, the DFT+U calculations suggest that orthorhombic CrI₂ satisfies conditions that favor formation of helimagnetic order.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC05-00OR22725; FG02-01ER45927

OSTI ID:: 2455071

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 14 Vol. 109; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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