Two-dimensional Weyl semi-half-metallic NiCS<sub>3</sub> with a band structure controllable by the direction of magnetization

Li, Gui-Gui; Xie, Rong-Rong; Ding, Lijuan; Ji, Wei-xiao; Li, Sheng-shi; Zhang, Chang-wen; Li, Ping; Wang, Pei-ji

doi:10.1039/d1cp00812a

Cited by 13 publications

(7 citation statements)

References 36 publications

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“…It can be seen that the shape of band structures using the HSE06 method is similar to that obtained using the PBE method, but the band gaps in the spin-up states increase to 5.60, 4.25, and 4.41 eV, respectively. Recent reports show that band gaps are larger than CoH 2 , CoGa 2 X 4 (X = S, Se, and Te), MnX (X = P and As), Mn 2 PAs, OsI 3 , and NiCS 3 monolayers. − The large band gap in one spin channel can effectively prevent spin leakage . Besides, 100% spin polarization suggests that FeXY monolayers have potential application in spintronic devices, such as pure spin injection and spin transport.…”

Section: Results and Discussionmentioning

confidence: 99%

Two-Dimensional Janus FeXY (X, Y = Cl, Br, and I, X ≠ Y) Monolayers: Half-Metallic Ferromagnets with Tunable Magnetic Properties under Strain

Jiang

Shi

et al. 2021

ACS Appl. Mater. Interfaces

132

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Two-dimensional (2D) ferromagnetic materials with high spin polarization are highly desirable for spintronic devices. 2D Janus materials exhibit novel properties due to their broken symmetry. However, the electronic structure and magnetic properties of 2D Janus magnetic materials with high spin polarization are still unclear. Inspired by the successful synthesis of a ferromagnetic FeCl2 monolayer and 2D Janus MoSSe and WSSe, we systematically study the electronic structure and magnetic properties of Janus FeXY (X, Y = Cl, Br, and I, X ≠ Y) monolayers. Based on the Goodenough–Kanamori–Anderson theory, the ferromagnetism stems from the superexchange interaction mediated by Fe–X/Y–Fe bonds. The band gaps of spin-up channels are large enough (>4 eV) to prevent spin flipping, which is beneficial for spintronic devices. Additionally, the sizable magnetocrystalline anisotropy energy (MAE) indicates that Janus FeXY monolayers are suitable for information storage. More importantly, the half-metallic character is still kept in Janus FeXY monolayers, and their magnetic properties are enhanced by the biaxial compressive strain. The MAE of FeClI and FeBrI increases by 1 order of magnitude, and the Curie temperature of FeXY monolayers enhances by 100%. These results provide an example of the 2D Janus half-metallic materials and enrich the 2D magnetic material library.

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Section: Results and Discussionmentioning

confidence: 99%

Two-Dimensional Janus FeXY (X, Y = Cl, Br, and I, X ≠ Y) Monolayers: Half-Metallic Ferromagnets with Tunable Magnetic Properties under Strain

Jiang

Shi

et al. 2021

ACS Appl. Mater. Interfaces

132

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“…In 2D materials the Weyl points require extra symmetry protection, not needed in the counterpart 3D systems [20]. Recently it has been proposed WSMs in 2D systems such as MnNBr, Cr 2 C, NiCS 3 , CrN, VI 3 , Mn 2 NF 2 , PtCl 3 and NpAs monolayers [32][33][34][35][36][37][38][39], all of them belonging to timereversal symmetry breaking systems. For noncentrosymmetric systems, only quadratic WSMs have been proposed in a 2D heterostructure [40].…”

Section: Introductionmentioning

confidence: 99%

Noncentrosymmetric two-dimensional Weyl semimetals in porous Si/Ge structures

Lopes,

Baierle,

Miwa

et al. 2024

J. Phys.: Condens. Matter

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In this work we predict a family of noncentrosymmetric two-dimensional (2D) Weyl semimetals composed by porous Ge and SiGe structures. These systems are energetically stable graphenylene-like structures with a buckling, spontaneously breaking the inversion symmetry. The nontrivial topological phase for these 2D systems occurs just below the Fermi level, resulting in nonvanishing Berry curvature around the Weyl nodes. The emerged Weyl semimetals are protected by C3 symmetry, presenting one-dimensional edge Fermi-arcs connecting Weyl points with opposite chiralities. Our findings complete the family of Weyl in condensed-matter physics, by predicting the first noncentrosymmetric class of 2D Weyl semimetals.

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“…29 PtCl 3 can be converted from the WSM state to the quantum anomalous Hall effect state by changing the magnetization direction in the presence of SOC. To date, some 2D ferromagnetic WSM candidates have been reported, such as the ferromagnetic half metallic properties in 2D MnNBr 38 and NiCS 3 46 monolayers. However, most of them have drawbacks with their nodal points away from the Fermi level.…”

Section: Introductionmentioning

confidence: 99%

Robust ferromagnetism and Weyl half-semimetal in a two-dimensional vanadium boride monolayer

et al. 2022

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Two-dimensional Weyl semi-half-metallic NiCS₃ with a band structure controllable by the direction of magnetization

Abstract: Two-dimensional (2D) Weyl semi-half-metal (WSHM) has attracted tremendous interest for its fascinating properties combing half-metallic ferromagnetism and Weyl fermions. In this work, we present a NiCS3 monolayer as a new...

Cited by 13 publications

References 36 publications

Two-Dimensional Janus FeXY (X, Y = Cl, Br, and I, X ≠ Y) Monolayers: Half-Metallic Ferromagnets with Tunable Magnetic Properties under Strain

Two-Dimensional Janus FeXY (X, Y = Cl, Br, and I, X ≠ Y) Monolayers: Half-Metallic Ferromagnets with Tunable Magnetic Properties under Strain

Noncentrosymmetric two-dimensional Weyl semimetals in porous Si/Ge structures

Robust ferromagnetism and Weyl half-semimetal in a two-dimensional vanadium boride monolayer

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Two-dimensional Weyl semi-half-metallic NiCS3 with a band structure controllable by the direction of magnetization

Abstract: Two-dimensional (2D) Weyl semi-half-metal (WSHM) has attracted tremendous interest for its fascinating properties combing half-metallic ferromagnetism and Weyl fermions. In this work, we present a NiCS3 monolayer as a new...

Cited by 13 publications

References 36 publications

Two-Dimensional Janus FeXY (X, Y = Cl, Br, and I, X ≠ Y) Monolayers: Half-Metallic Ferromagnets with Tunable Magnetic Properties under Strain

Two-Dimensional Janus FeXY (X, Y = Cl, Br, and I, X ≠ Y) Monolayers: Half-Metallic Ferromagnets with Tunable Magnetic Properties under Strain

Noncentrosymmetric two-dimensional Weyl semimetals in porous Si/Ge structures

Robust ferromagnetism and Weyl half-semimetal in a two-dimensional vanadium boride monolayer

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Two-dimensional Weyl semi-half-metallic NiCS₃ with a band structure controllable by the direction of magnetization