A multiferroic vanadium phosphide monolayer with ferromagnetic half-metallicity and topological Dirac states

Xuan, Xiaoyu; Wu, Mingyang; Zhang, Zhuhua; Guo, Wei

doi:10.1039/d1nh00353d

Cited by 19 publications

(28 citation statements)

References 41 publications

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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.…”

mentioning

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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mentioning

confidence: 74%

Section: Resultsmentioning

confidence: 99%

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%

See 2 more Smart Citations

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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show abstract

“…A class of 2D materials that possess spontaneous ferroelasticity have been demonstrated to show multiple orientation variants after transition from the high-symmetry paraelastic (PE) phase into the lower-symmetry FE phase. , The nondiffusive switching between different FE variants can be triggered by the external mechanical stress, resulting in the nonzero FE strain (lattice deformation) as well as the strain-orientation dependent properties. , Especially, 2D FE materials with atomic thickness and high mechanical strength can sustain extraordinarily large FE strain, thereby having possibly tunable properties through FE strain engineering . For example, 2D FE transition metal dichalcogenide monolayers in the 1T′ phase can display a quantum spin Hall effect, , and rotational orientation dependent topological edge states appeared at the domain boundaries .…”

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confidence: 99%

InBi: A Ferroelastic Monolayer with Strain Tunable Spin–Orbit Dirac Points and Carrier Self-Doping Effect

Ding

Jia

et al. 2022

ACS Nano

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Semimetallic two-dimensional (2D) Dirac materials beyond graphene, especially 2D materials with robust Dirac points against the spin−orbit coupling (SOC), are still highly sought. Herein, we theoretically demonstrate the InBi monolayer as a longsought 2D Dirac material whose exotic Dirac Fermionic states cannot be gapped out by SOC. The InBi monolayer with the litharge crystal structure possesses not only 4-fold band degeneracy, linear energy dispersion, and ultrahigh Fermi velocity in the order of 10 5 m/s, but also spontaneous ferroelasticity that can lead to the orthorhombic lattice deformation and semimetallic electronic structure. Specifically, the symmetry protected spin−orbit Dirac points in 2D InBi are located at the Brillouin Zone (BZ) boundary and near the Fermi level in energy. More importantly, with coexisting spin−orbit Dirac points and spontaneous ferroelasticity, the InBi monolayer exhibits an additional advantage for engineering Dirac Fermionic states by ferroelastic (FE) strain. Energy levels of Dirac points are strongly coupled to FE strain, and the semimetallic electronic structure of the InBi monolayer is also susceptible to the FE strain induced carrier self-doping effect. Depending on the strain orientation within the InBi monolayer, electron and hole Fermi pockets will develop along the two planar directions, leading to the characteristic transport coefficients (as evidenced by our transport simulations based on Boltzmann formalism) for future experimental detection. FE strain tunable Dirac Fermionic states together with the carrier self-doping effect will benefit future development of ultrathin electronic devices with both high carrier mobility and controllable charge conductivities.

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Ferroelastic Zr2P2XY (X/Y = I, Br, Cl or F; X ≠ Y) monolayers with tunable in-plane electronic anisotropy and remarkable out-of-plane piezoelectricity

Zhang

Yang

et al. 2023

Applied Surface Science

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A multiferroic vanadium phosphide monolayer with ferromagnetic half-metallicity and topological Dirac states

Abstract: Ferroelasticity, ferromagnetism, half-metallicity, and topological Dirac states are compelling properties highly sought in two-dimensional (2D) materials for advanced device applications. Here, we report first-principles prediction of a dynamically and thermally...

Cited by 19 publications

References 41 publications

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

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

InBi: A Ferroelastic Monolayer with Strain Tunable Spin–Orbit Dirac Points and Carrier Self-Doping Effect

Ferroelastic Zr2P2XY (X/Y = I, Br, Cl or F; X ≠ Y) monolayers with tunable in-plane electronic anisotropy and remarkable out-of-plane piezoelectricity

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