Intrinsic ferromagnetism with high Curie temperature and strong anisotropy in a ferroelastic 
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 monolayer 
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Cheng, Xuli; Xu, Shaowen; Jia, Fanhao; Zhao, Guodong; Hu, Minglang; Wu, Wei; Ren, Wei

doi:10.1103/physrevb.104.104417

Cited by 24 publications

(30 citation statements)

References 47 publications

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“…Generally, a high energy barrier has difficulty in manipulating the FA switch, while a too low energy barrier leads to phase instability in the FA state. The calculated FA switching barrier of the VNI monolayer is about 100.66 meV/atom, which is much higher than those of VAs (2.62 meV per V atom), 50 TcOBr (77 meV/atom), 51 and FeO 2 H (54 meV/atom) 52 monolayers but lower than that of phosphorene (200 meV/atom) 9 and α-HfPI (141 meV/ atom) 53 monolayers. Therefore, the present moderate energy barrier endows the 2D VNI monolayer with good ferroelasticity.…”

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confidence: 72%

Intrinsic Multiferroic in VNI Monolayer

Zhao

Liu

Zhao

2022

ACS Appl. Electron. Mater.

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Two-dimensional (2D) multiferroic materials, exhibiting both ferromagnetism and ferroelasticity, have promising applications in the miniaturization of quantum devices, such as high-density data storage and spintronic devices. Using firstprinciples calculations, we propose a 2D material, a ternary, vanadium−nitride−halide compound VNI. Its dynamic, mechanical, and thermal stabilities are confirmed by phonon spectrum, elastic modulus, and molecular dynamics simulations. The VNI monolayer is a robust ferromagnetic metal with a sizable in-plane magnetic anisotropic energy (153 μeV per V atom). Meanwhile, the monolayer has a moderate ferroelastic switching barrier of 100.66 meV/atom, which would facilitate the fast ferroelastic dynamics under external stress. Notably, the magnetic anisotropy axis of the VNI monolayer can be adjusted from the a-axis to the baxis through reversible ferroelastic strain, exhibiting the characteristics of magnetoelastic coupling. These results shed light on the design of nonvolatile-memory devices.

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confidence: 72%

Intrinsic Multiferroic in VNI Monolayer

Zhao

Liu

Zhao

2022

ACS Appl. Electron. Mater.

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“…Monolayer VP and VAs has an anisotropic rectangular lattice with an in-plane easy magnetization axis. 25,26 In this work, we proved that constructing Janus monolayer V 2 XN (X = P, As) can realize the easy-plane magnetism in a 2D square lattice. We first identified that FM state was the ground-state magnetic order for Janus monolayer V 2 XN.…”

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confidence: 74%

“…Monolayer VP adopted a anisotropic rectangle lattice with lattice constant a = 4.219/4.453 Å and b = 3.420/4.443 Å by PBE/PBE+U calculations, which agrees well with previous works. 25,26 The large difference between the results in PBE and PBE+U calculations indicated the necessity to consider the electron correlation effect in structural relaxation of V-based 2D materials. The effective onsite repulsion U f of 2 ∼ 4 eV have been adopted for V-d orbitals in previous works.…”

Section: Resultsmentioning

confidence: 99%

“…S1(a)]. Unlike monolayer VP or VAs with an in-plane anisotropy crystal lattice, 25,26 both monolayer V 2 PN and V 2 AsN exhibit a 2D square crystal lattice (a = b) with a = 3.986 Å and a = 3.989 Å, respectively. We noticed that monolayer VN also adopted a square and bucking lattice with a = 3.653 Å.…”

Section: Resultsmentioning

confidence: 99%

“…For comparison, the MAE of monolayer VP and VAs are 101 µeV and 263 µeV per V atom, respectively. 25,26 The angular dependence of MAE can be expressed by 40…”

Section: Resultsmentioning

confidence: 99%

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2D-XY ferromagnetism with high transition temperature in Janus monolayer V$_{2}$XN (X = P, As)

Wan¹,

Fu²,

Liu³

et al. 2022

Preprint

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Two-dimensional (2D) magnetic materials with easy-plane anisotropy support the transport of electron spins without dissipation of energy, which is highly desirable for 2D spintronic devices. But intrinsic 2D easy-plane magnets are scarce. Here, we systematically investigated the structural and magnetic properties of Janus V 2 XN (X = P, As) monolayers by first-principles calculations. Janus V 2 XN monolayers adopted a 2D square crystal, exhibited half-metallic characters and had an easy magnetization xy-plane. The magnetic anisotropy energies (MAEs) are 58.8 and 230.8 µeV per V atom for V 2 PN and V 2 AsN, respectively. Through Monte Carlo simulations based on the XXZ model, Janus V 2 XN exhibited a Berezinskii-Kosterlitz-Thouless (BKT) phase transition with the emergence of magnetic vortices and antivortices. We estimated the transition temperature T BKT as 395 K and 434 K for monolayer V 2 PN and V 2 AsN, respectively, by fitting the in-plane susceptibility to the forms of the BKT theory. Meanwhile, T BKT can be effectively increased to above 500 K by tensile strain. Our study indicated that Janus monolayer V 2 XN were promising candidate materials to realize 2D easy-plane magnetism for spintronics applications.

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