Magnetism and spin exchange coupling in strained monolayer CrOCl

Qing, Xiaomei; Li, Hua; Zhong, Chonggui; Zhou, Peng; Dong, Zhengchao; Liu, Jun‐Ming

doi:10.1039/d0cp01160f

Cited by 41 publications

(26 citation statements)

References 46 publications

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“…Additionally, the magnetic properties of few-layer samples are also unknown. These issues have been receiving increasing interest recently and have been studied through theoretical calculations. − However, due to the complexity of the three filled 3d orbitals, some calculation results are contradictory.…”

Section: Introductionmentioning

confidence: 99%

Magnetic Phase Transitions and Magnetoelastic Coupling in a Two-Dimensional Stripy Antiferromagnet

Sun

Wang

et al. 2022

Nano Lett.

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Materials with a quasi-one-dimensional stripy magnetic order often exhibit low crystal and magnetic symmetries, thus allowing the presence of various energy coupling terms and giving rise to macroscopic interplay between spin, charge, and phonon. In this work, we performed optical, electrical and magnetic characterizations combined with first-principles calculations on a van der Waals antiferromagnetic insulator chromium oxychloride (CrOCl). We detected the subtle phase transition behaviors of exfoliated CrOCl under varying temperature and magnetic field and clarified its controversial spin structures. We found that the antiferromagnetism and its air stability persist down to few-layer samples, making it a promising candidate for future 2D spintronic devices. Additionally, we verified the magnetoelastic coupling effect in CrOCl, allowing for the potential manipulation of the magnetic states via electric field or strain. These virtues of CrOCl provide us with an ideal platform for fundamental research on spin-charge, spin-phonon coupling, and spin-interactions.

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Section: Introductionmentioning

confidence: 99%

Magnetic Phase Transitions and Magnetoelastic Coupling in a Two-Dimensional Stripy Antiferromagnet

Sun

Wang

et al. 2022

Nano Lett.

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“…Until 2017, long-range 2D FM ordering was experimentally observed in the CrI 3 monolayer (Curie temperature, T c , of ∼45 K) and Cr 2 Ge 2 Te 6 atomic layers ( T c of ∼25 K) , due to the breaking down of the electronic isotropy in these materials. This brings great encouragement to this research field because 2D FM materials are essential for next-generation spintronic devices. , Although CrX 3 (X = F, Cl, Br, I), − CrXTe 3 (X = Si, Ge) monolayers, Janus Cr 2 Cl 3 I 3 , and 2H-VSeTe monolayer and CrOCl have been theoretically predicted to be intrinsic FM semiconductors (FMSs), only a few intrinsic 2D FMSs have been reported in laboratory until now . Thus, finding and synthesizing other novel 2D FM crystals with high T c is still a serious issue for practical electronic applications.…”

Section: Introductionmentioning

confidence: 99%

“…This brings great encouragement to this research field because 2D FM materials are essential for next-generation spintronic devices. 17,18 Although CrX 3 (X = F, Cl, Br, I), 19−22 CrXTe 3 (X = Si, Ge) 23 monolayers, Janus Cr 2 Cl 3 I 3 , 24 and 2H-VSeTe 25 monolayer and CrOCl 26 have been theoretically predicted to be intrinsic FM semiconductors (FMSs), only a few intrinsic 2D FMSs have been reported in laboratory until now. 27 Thus, finding and synthesizing other novel 2D FM crystals with high T c is still a serious issue for practical electronic applications.…”

Section: ■ Introductionmentioning

confidence: 99%

Strong Spin-Phonon Coupling in Two-Dimensional Magnetic Semiconductor CrSBr

Wang²,

et al. 2022

J. Phys. Chem. C

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Recently, spin-phonon coupling (SPC) has gained considerable attention especially in two-dimensional (2D) materials. Herein, density-functional theory is used to investigate the SPC effect in CrSBr, a recently fabricated 2D magnetic semiconductor. It is found that the phonon vibrations are strongly dependent on the spin ordering. The breaking of magnetic symmetry changes phonon spectrum dependency obviously. In particular, the SPC constant is found to be 20.2 cm −1 , which is one order of magnitude larger than that of most other 2D materials. The group velocity and Gruneisen constant in the ferromagnetic (FM) state are increased by ∼23 and ∼16% than that in the antiferromagnetic state. Furthermore, the thermal conductivity is enhanced by ∼43% for FM spin ordering because of stronger lattice anharmonicity. The Curie temperature of the system can be tuned ∼30% by lattice deformation because of the strong SPC. Our work provides fundamental insights into the SPC effect on the CrSBr monolayer and sheds light on its potential for novel spintronic application.

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“…Aside from the strong interest in the fundamental physics of MOCl compounds, a renewed interest in the application of FeOCl-type compounds resulted in reports about the use as catalysts [14][15][16][17], nonlinear optical materials [18], and developments in the context of chloride ion batteries [19][20][21][22][23]. Research on this specific class of compounds was further boosted by the proposal of MOCl as van der Waals heterostructures [24], and their use as two-dimensional (2D) intrinsically magnetic monolayer materials, e.g., for applications in the field of spintronics [25][26][27][28][29][30][31]. Zhang et al [32] reported liquid exfoliation of FeOCl into few-layer thick nanosheets, a feature that was explained by the low cleavage energy of 340 mJ m −2 being close to the value of 320 mJ m −2 for graphite.…”

Section: Introductionmentioning

confidence: 99%

Pressurizing the van der Waals magnet FeOCl at low temperatures: Phase transitions and structural evolution

et al. 2022

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Magnetic order is frustrated on the orthorhombic lattice of van der Waals layered FeOCl. Antiferromagnetic (AFM) order is attained at ambient pressure upon cooling through T N = 81 K, due to an accompanying monoclinic lattice distortion lifting the magnetic frustration. Within the paramagnetic state at 293 K, an incommensurate structural modulation appears above a critical pressure of p c ≈ 15 GPa, while orthorhombic symmetry is retained. This modulation is related to an optimization of the packing of chlorine atoms within the van der Waals gap. Here, we report four new phases in the pressure-temperature (p, T ) phase diagram of FeOCl below room temperature. High-pressure-low-temperature single-crystal x-ray diffraction (SXRD) up to 37.8 GPa reveals that, at 100 K, the AFM transition occurs at p = 7.3 ± 1.3 GPa. The pressure coefficient of T N / p = 2.13 K/GPa explains that FeOCl remains paramagnetic up to the highest measured pressure of 33.3 GPa at 293 K. At 6 and 100 K, the structural modulation appears around p c ≈ 15 GPa within the AFM ordered phase with monoclinic symmetry. The monoclinic and triclinic lattice distortions increase with pressure up to γ = 90.64(1) • , much larger than the maximum value of 90.1 • , that can be reached upon cooling at ambient pressure. The structural evolution provides the geometrical basis for the increase with the pressure of direct 3d-3d exchange and superexchange interactions. It is proposed, that a strong monoclinic lattice distortion may be of importance for understanding the properties of single-layer FeOCl materials.

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Magnetism and spin exchange coupling in strained monolayer CrOCl

Abstract: The magnetism and spin exchange coupling of monolayer CrOCl with different strains are investigated systematically using first principles. It is found that the magnetic ground state can be changed from...

Cited by 41 publications

References 46 publications

Magnetic Phase Transitions and Magnetoelastic Coupling in a Two-Dimensional Stripy Antiferromagnet

Magnetic Phase Transitions and Magnetoelastic Coupling in a Two-Dimensional Stripy Antiferromagnet

Strong Spin-Phonon Coupling in Two-Dimensional Magnetic Semiconductor CrSBr

Pressurizing the van der Waals magnet FeOCl at low temperatures: Phase transitions and structural evolution

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