Magnetism in Boron Nitride Monolayer Induced by Cobalt or Nickel Doping

Wang, M.; Tang, Sheng; Ren, Jianguo; Wang, B.; Han, Yilin; Dai, Yongjuan

doi:10.1007/s10948-017-4353-5

Cited by 23 publications

(10 citation statements)

References 13 publications

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“…Doping with magnetic impurities can also lead to magnetic systems. For instance, h-BN monolayers were found to be FM after doping with Co or Ni ions [77]. Combining doping and adsorbing was also predicted as a possible route to induce ferromagnetism in the g-BN system.…”

Section: Introducing Magnetism Into Other Low-dimensional Chalcogenidmentioning

confidence: 98%

Introducing Magnetism into 2D Nonmagnetic Inorganic Layered Crystals: A Brief Review from First-Principles Aspects

et al. 2018

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Pioneering explorations of the two-dimensional (2D) inorganic layered crystals (ILCs) in electronics have boosted low-dimensional materials research beyond the prototypical but semi-metallic graphene. Thanks to species variety and compositional richness, ILCs are further activated as hosting matrices to reach intrinsic magnetism due to their semiconductive natures. Herein, we briefly review the latest progresses of manipulation strategies that introduce magnetism into the nonmagnetic 2D and quasi-2D ILCs from the first-principles computational perspectives. The matrices are concerned within naturally occurring species such as MoS 2 , MoSe 2 , WS 2 , BN, and synthetic monolayers such as ZnO and g-C 2 N. Greater attention is spent on nondestructive routes through magnetic dopant adsorption; defect engineering; and a combination of doping-absorbing methods. Along with structural stability and electric uniqueness from hosts, tailored magnetic properties are successfully introduced to low-dimensional ILCs. Different from the three-dimensional (3D) bulk or zero-dimensional (0D) cluster cases, origins of magnetism in the 2D space move past most conventional physical models. Besides magnetic interactions, geometric symmetry contributes a non-negligible impact on the magnetic properties of ILCs, and surprisingly leads to broken symmetry for magnetism. At the end of the review, we also propose possible combination routes to create 2D ILC magnetic semiconductors, tentative theoretical models based on topology for mechanical interpretations, and next-step first-principles research within the domain.

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Section: Introducing Magnetism Into Other Low-dimensional Chalcogenidmentioning

confidence: 98%

Introducing Magnetism into 2D Nonmagnetic Inorganic Layered Crystals: A Brief Review from First-Principles Aspects

et al. 2018

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“…Therefore, most of the h-BN materials are used as insulating materials [20] [21] and restricts its application in several optoelectronic devices. Various approaches such as doping, vacancy defects, absorption, strain, external electric field, and chemical passivation in the pristine 2D structure [22] [23][23] [24]have been implemented to settle this problem. However, applying an external electric field or strain would considerably make the device configuration complicated [25].…”

Section: Introductionmentioning

confidence: 99%

Optoelectronic and elastic response of fluorinated hexagonal boron nitride monolayer

Sharma

2021

Preprint

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The inherited insulating behavior of hexagonal boron nitride (h-BN) monolayer restricts its application in several optoelectronic devices, so finding a technique to reduce the bandgap allows it to possess the semiconducting functionality. Here, an experimentally feasible fluorinated hexagonal boron nitride (FBNF), a structurally, dynamically, and mechanically stable monolayer is reported by using density functional theory calculations. The significant geometrical transformation from planer h-BN to buckled FBNF softens the structure by retaining the mechanical isotropy and structural symmetry. Remarkably, the induced direct bandgap semiconducting behavior after fluorination enhances the optical absorbance and reflectivity reduces energy loss, creates strong optical anisotropy, and makes FBNF monolayer is a proper material in the optoelectronic and nanomechanical applications

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“…Structurally analogous to graphene is hexagonal boron nitride (h-BN), a van der Waals 2D material with outstanding properties such as chemical inertness, a high thermal stability, low density, excellent mechanical strength, and a wide tunable band gap of ∼5.9 eV. , Previous studies have suggested plausible expansion of the applications of h-BN by tuning its geometrical structure and spin state through adsorption or doping with other TM atoms. − Moreover, unlike graphene, the structure of h-BN is composed of heteroatomic elements nitrogen (N) and boron (B), each with different electron distribution, suggesting stronger interaction with transition metals due to its polar nature. − TM adsorption site occupancy on h-BN monolayer has triggered further research interest since theoretical work has revealed that hybridization between N and B with individual TM can induce different electronic characteristics . Although numerous studies have been published on TM/graphene interactions, limited information is available on TM/h-BN interactions.…”

mentioning

confidence: 99%

Visualization of Transition Metal Decoration on h-BN Surface

et al. 2021

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Functional h-BN (hexagonal boron nitride) has been prepared via the incorporation of transition metal (TM) impurities like nanoparticles and single atoms. Herein, scanning transmission electron microscopy (STEM) combined with density functional theory (DFT) was employed to study Ta-, Co-, Ni-, and Ir-decorated h-BN monolayers to provide an overview of their preferential site occupancies and morphological evolutions on h-BN. Ta, Ni, Ir, and Co single atoms are all positioned on the nitrogen of h-BN; however DFT predicts the occupancy site can vary with their spin state. In terms of microstructural evolution, Co, Ni, and Ir atoms form 3D nanoclusters while Ta atoms are well dispersed and thus the single Ta atom can be decorated on h-BN. This study highlights on TM/h-BN interaction dynamics and presents an avenue for designing nanostructures for electrocatalytic application.

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Magnetism in Boron Nitride Monolayer Induced by Cobalt or Nickel Doping

Cited by 23 publications

References 13 publications

Introducing Magnetism into 2D Nonmagnetic Inorganic Layered Crystals: A Brief Review from First-Principles Aspects

Introducing Magnetism into 2D Nonmagnetic Inorganic Layered Crystals: A Brief Review from First-Principles Aspects

Optoelectronic and elastic response of fluorinated hexagonal boron nitride monolayer

Visualization of Transition Metal Decoration on h-BN Surface

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