Antiferromagnetic and Electric Polarized States in Two-Dimensional Janus Semiconductor Fe2Cl3I3

Abstract

Two-dimensional (2D) Janus semiconductors with mirror asymmetry can introduce novel properties, such as large spin-orbit coupling (SOC) and normal piezoelectric polarization, which have attracted a great interest for their potential applications. Inspired by the recently fabricated 2D ferromagnetic (FM) semiconductor CrI3, a stable 2D (in x-y plane) antiferromagnetic (AFM) Janus semiconductor Fe2Cl3I3 with normal sublattice magnetization (m//z) is obtained by density functional theory calculations. By applying a tensile strain, the four magnetic states sequentially occur: AFM with m//z of sublattice, AFM with m//xy of sublattice, FM with m//xy, and FM with m//z. Such novel magnetic phase diagram driven by strain can be well understood by the spin-spin interactions including the third nearest-neighbor hoppings with the single-ion anisotropy, in which the SOC of I atoms is found to play an essential role. In addition, the electric polarization of Fe2Cl3I3 preserves with strain due to the broken inversion symmetry. Our results predict the rare Janus material Fe2Cl3I3 as an example of 2D semiconductors with both spin and charge polarizations, and reveal the highly sensitive strain-controlled magnetic states and magnetization direction, which highlights the 2D magnetic Janus semiconductor as a new platform to design spintronic materials.

arXiv comment8 figures

References in corpus (28)

• Electric Field Effect in Atomically Thin Carbon Films
• Atomically thin MoS2: A new direct-gap semiconductor
• Two Dimensional Atomic Crystals
• Black phosphorus field-effect transistors
• Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
• Discovery of intrinsic ferromagnetism in 2D van der Waals crystals
• Bandgap Engineering of Strained Monolayer and Bilayer MoS2
• Electrical switching of an antiferromagnet
• Local strain engineering in atomically thin MoS2
• Experimental demonstration of continuous electronic structure tuning via strain in atomically thin MoS2
• Room-temperature antiferromagnetic memory resistor
• Strain-tunable magnetic anisotropy in monolayer CrCl${}_3$, CrBr${}_3$, and CrI${}_3$
• Strain engineering in semiconducting two-dimensional crystals
• Magnetic ground state of semiconducting transition metal trichalcogenide monolayers
• Interplay between Kitaev interaction and single ion anisotropy in ferromagnetic CrI${}_3$ and CrGeTe${}_3$ monolayers
• Antiferromagnetic spin Seebeck Effect
• Magnetic Skyrmion State in Janus Monolayers of Chromium Trihalides Cr(I,X)3
• Control of biaxial strain in single-layer Molybdenite using local thermal expansion of the substrate
• Strain-tunable magnetic and electronic properties of monolayer CrI3
• Two-dimensional Weyl Half Semimetal and Tunable Quantum Anomalous Hall Effect in Monolayer PtCl${}_3$
• Isolation and Characterization of Few-layer Manganese Thiophosphite
• Strain-Induced Room-Temperature Ferromagnetic Semiconductors with Large Anomalous Hall Conductivity in Two-Dimensional Cr2Ge2Se6
• Two-Dimensional Room Temperature Ferromagnetic Semiconductors with Quantum Anomalous Hall Effect
• Two-Dimensional Ferroelastic Topological Insulators in Single-Layer Janus Transition Metal Dichalcogenides MSSe (M=Mo, W)
• Electronic and magnetic properties of the monolayer RuCl${}_3$: A first-principles and Monte Carlo study
• High-Temperature Ferromagnetic Semiconductors: Janus Monolayer Vanadium Trihalides
• Exploring the Electronic and Magnetic Properties of New Metal Halides from Bulk to Two-Dimensional Monolayer: RuX3 (X=Br, I)
• Two-dimensional magnetic semiconductors with room Curie temperatures

Cited by in corpus (3)

• Emergent magnetic states due to stacking and strain in the van der Waals magnetic trilayer CrI3
• Enhancement of temperature of quantum anomalous Hall effect in two-dimensional germanene/magnetic semiconductor heterostructures
• Two-dimensional antiferromagnetic semiconductor T'-MoTeI from first principles