Ferromagnetism in monolayer MoS2 dictated by hydrogen adsorption sites and concentration

Jeon, Gi Wan; Lee, Kyu Won; Lee, Cheol Eui

doi:10.1016/j.physe.2018.08.004

Cited by 4 publications

(4 citation statements)

References 23 publications

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“…Although there is no intrinsic ferromagnetism in MoS 2 , researchers have explored some feasible methods, such as morphology preparation [112], external strain [113], and impurity doping [114] to introduce magnetism into MoS 2 . DFT calculation of Jeon et al suggested a hydrogen atom on a MoS 2 nanosheet tends to combine with the sulfur atom, which will produce a 1 µB magnetic moment [115]. Additionally, further research suggested that the adsorption of some nonmetallic elements such as B, C, N, and F will also transform MoS 2 from nonmagnetic to magnetic [116].…”

Section: Mosmentioning

confidence: 99%

“…Ferromagnetism has already been reported in perfect VX 2 (X = S, Se, and Te) monolayers in theory [132]. Some researchers have revealed that the ferromagnetism of 2D MX 2 nanostructures can be effectively improved by applying strain and hydrogenation [115,128]. However, interactions between antiferromagnetic and ferromagnetic ground states have not been achieved in 2D nanostructures.…”

Section: Vtementioning

confidence: 99%

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Atomically Thin 2D van der Waals Magnetic Materials: Fabrications, Structure, Magnetic Properties and Applications

Kong

Zhao

et al. 2022

Coatings

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Two-dimensional (2D) van der Waals (vdW) magnetic materials are considered to be ideal candidates for the fabrication of spintronic devices because of their low dimensionality, allowing the quantization of electronic states and more degrees of freedom for device modulation. With the discovery of few-layer Cr2Ge2Te6 and monolayer CrI3 ferromagnets, the magnetism of 2D vdW materials is becoming a research focus in the fields of material science and physics. In theory, taking the Heisenberg model with finite-range exchange interactions as an example, low dimensionality and ferromagnetism are in competition. In other words, it is difficult for 2D materials to maintain their magnetism. However, the introduction of anisotropy in 2D magnetic materials enables the realization of long-range ferromagnetic order in atomically layered materials, which may offer new effective means for the design of 2D ferromagnets with high Curie temperature. Herein, current advances in the field of 2D vdW magnetic crystals, as well as intrinsic and induced ferromagnetism or antiferromagnetism, physical properties, device fabrication, and potential applications, are briefly summarized and discussed.

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Section: Mosmentioning

confidence: 99%

Section: Vtementioning

confidence: 99%

Atomically Thin 2D van der Waals Magnetic Materials: Fabrications, Structure, Magnetic Properties and Applications

Kong

Zhao

et al. 2022

Coatings

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“…For example, 1T-CrO 2 was predicted to be a ferromagnetic (FM) half-metal [19,20], while 2H-CrO 2 was predicted to be a semiconductor [13]. In addition, the large surface area ratio of 2D material, the chemical functionalization of the slab is one of the most promising strategies to effectively alter the electronic and magnetic properties [21][22][23][24][25][26][27]. Chen et al reported 1T-HCrO 2 [28] to be FM semiconductors.…”

Section: Introductionmentioning

confidence: 99%

Magnetic transitions of hydrogenated H _x CrO₂ (x = 0–2) monolayer from a ferromagnetic half-metal to antiferromagnetic insulator

Ouyang

Shi

et al. 2023

J. Phys.: Condens. Matter

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We report the prediction of magnetic phase change in HxCrO2 (0 ≤ x ≤ 2) monolayer on the basis of first-principles calculations. As the H adsorption concentration x increases from 0 to 0.75, HxCrO2 monolayer transforms from a ferromagnetic (FM) half-metal to a small-gap FM insulator. When x = 1.00 and 1.25, it behaves as a bipolar antiferromagnetic (AFM) insulator, and eventually becomes an AFM insulator as x increases further up to 2.00. The results suggest that the magnetic properties of CrO2 monolayer can be effectively controlled by hydrogenation, and that HxCrO2 monolayers have the potential for realizing tunable two-dimensional magnetic materials.

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“…For example, it has been shown that electronic structure and magnetism of hydrogenated monolayer MoS2 can be modified under uniaxial tensile strain [18]. In a related study, Jeon et al showed [19] that magnetic properties of monolayer MoS2 strongly depend on the hydrogen concentration and on the sites where they are adsorbed: adsorption at the center of the hexagonal ring and a relatively high concentration of H atoms produce an itinerant ferromagnetism, while adsorption on sulfur atoms and a low concentration of adatoms yield a flat-band ferromagnetism. Importantly, it was found that the electrons in the last case are distributed on H and neighbor Mo and S atoms, while in the nonmagnetic case they are mostly localized on the Mo atoms neighboring hydrogen.…”

Section: Introductionmentioning

confidence: 99%

Excited states in hydrogenated single-layer MoS₂

Din¹,

Turkowski²,

Rahman³

2020

J. Phys.: Condens. Matter

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Our calculations of the excitation spectrum of single-layer MoS2 at several hydrogen coverages, using a density-matrix based time-dependent density-functional theory (TDDFT) show that the fully hydrogenated system is metallic, while at lower coverages the spectrum consists of spin-polarized partially filled localized mid-gap states. The calculated absorption spectrum of the system reveals standard excitonic peaks corresponding to the bound valence-band hole and conduction-band electron, as well as excitonic peaks that involve the mid-gap states. Binding energies of the excitons of the hydrogenated system are found to be relatively large (few tens of meV), making their experimental detection facile and suggesting hydrogenation as a knob for tuning the optical properties of single-layer MoS2. Importantly, we find hydrogenation to suppress visible light photoluminescence, in agreement with experimental observations. In contrast, both Li and Na atoms transform the system into an n-doped non-magnetic semiconductor that does not allow excitonic states.

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Ferromagnetism in monolayer MoS2 dictated by hydrogen adsorption sites and concentration

Cited by 4 publications

References 23 publications

Atomically Thin 2D van der Waals Magnetic Materials: Fabrications, Structure, Magnetic Properties and Applications

Atomically Thin 2D van der Waals Magnetic Materials: Fabrications, Structure, Magnetic Properties and Applications

Magnetic transitions of hydrogenated H _x CrO₂ (x = 0–2) monolayer from a ferromagnetic half-metal to antiferromagnetic insulator

Excited states in hydrogenated single-layer MoS₂

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Ferromagnetism in monolayer MoS2 dictated by hydrogen adsorption sites and concentration

Cited by 4 publications

References 23 publications

Atomically Thin 2D van der Waals Magnetic Materials: Fabrications, Structure, Magnetic Properties and Applications

Atomically Thin 2D van der Waals Magnetic Materials: Fabrications, Structure, Magnetic Properties and Applications

Magnetic transitions of hydrogenated H x CrO2 (x = 0–2) monolayer from a ferromagnetic half-metal to antiferromagnetic insulator

Excited states in hydrogenated single-layer MoS2

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Product

Resources

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Magnetic transitions of hydrogenated H _x CrO₂ (x = 0–2) monolayer from a ferromagnetic half-metal to antiferromagnetic insulator

Excited states in hydrogenated single-layer MoS₂