Electronic and magnetic properties of Re-doped single-layer MoS2: A DFT study

Zhao, P. W.; Zheng, Jiming; Guo, Ping; Jiang, Zhenyi; Cao, Li-Ke; Wan, Yun

doi:10.1016/j.commatsci.2016.11.030

Cited by 48 publications

(31 citation statements)

References 36 publications

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“…In this context, substitutional doping in MX 2 has been recently experimentally realized, mainly by replacing the host cation M with other transition metal elements 7 – 9 , often leading to degenerate doping levels of free carriers or even switch in conduction type that was hardly achieved by the other doping techniques 3 . Also, recent theoretical studies report doping-induced modifications in magnetic 10 , 11 and catalytic 12 properties of MX 2 .…”

Section: Introductionmentioning

confidence: 99%

Reconfiguring crystal and electronic structures of MoS2 by substitutional doping

et al. 2018

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Doping of traditional semiconductors has enabled technological applications in modern electronics by tailoring their chemical, optical and electronic properties. However, substitutional doping in two-dimensional semiconductors is at a comparatively early stage, and the resultant effects are less explored. In this work, we report unusual effects of degenerate doping with Nb on structural, electronic and optical characteristics of MoS2 crystals. The doping readily induces a structural transformation from naturally occurring 2H stacking to 3R stacking. Electronically, a strong interaction of the Nb impurity states with the host valence bands drastically and nonlinearly modifies the electronic band structure with the valence band maximum of multilayer MoS2 at the Γ point pushed upward by hybridization with the Nb states. When thinned down to monolayers, in stark contrast, such significant nonlinear effect vanishes, instead resulting in strong and broadband photoluminescence via the formation of exciton complexes tightly bound to neutral acceptors.

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Section: Introductionmentioning

confidence: 99%

Reconfiguring crystal and electronic structures of MoS2 by substitutional doping

et al. 2018

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“…Substitutional doping of Group V elements such as Nb in MoS 2 has been shown to result in stable p-type conduction from degenerate hole doping from Nb, whereas electron donors such as Re, Mn etc. results in n-type doping along with spin polarized ground state according to density functional theory calculations [15][16][17][18][19][20][21] . Intercalation of alkali metal ions such as Li, Na, K into TMDs with a stable 2H phase (semiconducting) results in a structural modification to form a metastable metallic 1T phase, which is the result of electron transfer to the transition metal that stabilizes 1T phase having an octahedral co-ordination for the metal atom [22][23][24][25][26] .…”

mentioning

confidence: 99%

Re Doping in 2D Transition Metal Dichalcogenides as a New Route to Tailor Structural Phases and Induced Magnetism

et al. 2017

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Alloying in 2D results in the development of new, diverse, and versatile systems with prospects in bandgap engineering, catalysis, and energy storage. Tailoring structural phase transitions using alloying is a novel idea with implications in designing all 2D device architecture as the structural phases in 2D materials such as transition metal dichalcogenides are correlated with electronic phases. Here, this study develops a new growth strategy employing chemical vapor deposition to grow monolayer 2D alloys of Re-doped MoSe with show composition tunable structural phase variations. The compositions where the phase transition is observed agree well with the theoretical predictions for these 2D systems. It is also shown that in addition to the predicted new electronic phases, these systems also provide opportunities to study novel phenomena such as magnetism which broadens the range of their applications.

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“…Early works have mainly focused on creating magnetism in nominally nonmagnetic 2D materials through various approaches, including defect engineering, surface functionalization, and doping control . Although fundamentally sound, these approaches are destructive in nature and such induced magnetism is fairly weak and short‐ranged.…”

Section: Progress On Van Der Waals Magnets and Heterostructuresmentioning

confidence: 99%

“…Early works have mainly focused on creating magnetism in nominally nonmagnetic 2D materials through various approaches, including defect engineering, [40][41][42][43][44][45][46] surface functionalization, [46][47][48] and doping control. 47,[49][50][51][52][53][54] Although fundamentally sound, these approaches are destructive in nature and such induced magnetism is fairly weak and short-ranged. Therefore, searching for 2D materials with intrinsic magnetism is a logical approach with greater impact on 2D spintronics.…”

Section: D-vdw Magnets With Intrinsic Ferromagnetismmentioning

confidence: 99%

Van der Waals magnets: Wonder building blocks for two‐dimensional spintronics?

Zhang

Wong

Zhu

et al. 2019

InfoMat

107

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The unprecedented realization of two‐dimensional (2D) van der Waals magnets excitingly extends the synergy between spintronics and 2D materials, started with graphene over the last decade. This article reviews the recent milestones in the development of 2D magnets and its derived heterostructures. In particular, a number of critical challenges centered around the scalability, ambient stability and Curie temperature of these atomically thin magnets are discussed. This mini‐review also provides an outlook on what the future might hold for this integrated field of 2D spintronics, and assesses its potential in postsilicon electronics.

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Electronic and magnetic properties of Re-doped single-layer MoS2: A DFT study

Cited by 48 publications

References 36 publications

Reconfiguring crystal and electronic structures of MoS2 by substitutional doping

Reconfiguring crystal and electronic structures of MoS2 by substitutional doping

Re Doping in 2D Transition Metal Dichalcogenides as a New Route to Tailor Structural Phases and Induced Magnetism

Van der Waals magnets: Wonder building blocks for two‐dimensional spintronics?

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