Induce magnetism into silicene by embedding transition-metal atoms

Sun, Xiaotian; Wang, Lu; Lin, Haiping; Hou, Tingjun; Li, Youyong

doi:10.1063/1.4921699

Cited by 30 publications

(27 citation statements)

References 41 publications

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“…But according to previous study [ 17 , 40 ], neither Mo vacancy nor S vacancy changes the nonmagnetic property of monolayer MoS 2 . Also, Si vacancy does not bring magnetism into silicene [ 41 , 42 ]. As shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

Ferromagnetism in Transitional Metal-Doped MoS2 Monolayer

Fan¹,

An²,

Guo³

2016

Nanoscale Res Lett

113

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Manipulating electronic and magnetic properties of two-dimensional (2D) transitional-metal dichalcogenides (TMDs) MX2 by doping has raised a lot of attention recently. By performing the first-principles calculations, we have investigated the structural, electronic, and magnetic properties of transitional metal (TM)-doped MoS2 at low and high impurity concentrations. Our calculation result indicates that the five elements of V-, Mn-, Fe-, Co-, and Cu-doped monolayer MoS2 at low impurity concentration all give rise to the good diluted magnetic semiconductors. By studying various configurations with different TM-TM separations, we found that the impurity atoms prefer to stay together in the nearest neighboring (NN) configuration, in which the doped TM atoms are FM coupling except for Fe doping at 12 % concentration. For V, Mn, and Fe doping, the total magnetic moment is smaller than the local magnetic moment of the dopants because the induced spins on the nearby host atoms are antiparallel to that of the doped atoms. In contrast, Co and Cu doping both give the higher total magnetic moment. Especially, Cu doping induces strong ferromagnetism relative to the local spins. However, the atomic structures of Co- and Cu-doped MoS2 deviate from the original prismatic configuration, and the magnetic moments of the doped systems decrease at 12 % impurity concentration although both elements give higher magnetic moments at 8 % impurity concentration. Our calculations indicate that V and Mn are promising candidates for engineering and manipulating the magnetism of the 2D TMDs.Electronic supplementary materialThe online version of this article (doi:10.1186/s11671-016-1376-y) contains supplementary material, which is available to authorized users.

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Section: Resultsmentioning

confidence: 99%

Ferromagnetism in Transitional Metal-Doped MoS2 Monolayer

Fan¹,

An²,

Guo³

2016

Nanoscale Res Lett

113

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“…Such evolution in binding along the 3d series is generic to TM absorption on 2D materials but it still lacks a microscopic description. [24,66] To corroborate the strong FIG. 6.…”

mentioning

confidence: 84%

“…The overall trend in E b across the 3d series is similar to that of other two-dimensional materials. [24,66] We argue that this trend could be understood completely by the covalent p(P)-d(TM) bonding. Representative differential charge densities ∆ρ(r) are shown in the inset for 0.03 e/Å 3 isosurface, which indicate strong covalent bonding.…”

mentioning

confidence: 89%

Transition Metal and Vacancy Defect Complexes in Phosphorene: A Spintronic Perspective

Babar

Kabir

2016

J. Phys. Chem. C

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Inducing magnetic moment in otherwise nonmagnetic two-dimensional semiconducting materials is the key first step to design spintronic materials. Here, we study the absorption of transition-metals on pristine and defected single-layer phosphorene, within density functional theory. We predict that increased transition-metal diffusivity on pristine phosphorene would hinder any possibility of controlled magnetism, and thus any application. In contrast, the point-defects will anchor metals, and exponentially reduce the diffusivity. Similar to other two-dimensional materials, metals bind strongly on both pristine and defected phosphorene, and we provide a microscopic description of bonding, which explain the qualitative trend with increasing number of valence electrons. We further argue that the divacancy complex is imperative in any practical purpose due to their increased thermodynamic stability over monovacancy. For most cases, the defecttransition metal complexes retain the intrinsic semiconduction properties, and also induce a local magnetic moment with large exchangesplitting and spin-flip energies, which are necessary for spintronic applications. Specifically, the V/Mn/Fe absorbed at the divacancy have tremendous promise in this regard. Further, we provide a simple microscopic model to describe the local moment formation in these transition metal and defect complexes. We also note that metal absorption may completely alter the intrinsic semiconducting nature and give rise to half-metallic and metallic composite system.

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“…The most direct approach for experimental realization of magnetic properties in multilayer silicenes is intercalation by inherently magnetic metal atoms. Transition metals can hardly be considered as the best candidates for this purpose since (i) their d states are strongly hybridized with 3p states of Si in silicene and (ii) unlike active metals, transition metals are likely to disturb the nearest Si atoms with a tendency to penetrate or to embed into the silicene layer.…”

Section: Introductionmentioning

confidence: 99%

Engineering of Magnetically Intercalated Silicene Compound: An Overlooked Polymorph of EuSi₂

Tokmachev

Averyanov

Karateev

et al. 2017

Adv Funct Materials

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Silicene, a Si analogue of graphene, is suggested to become a versatile material for nanoelectronics. Being coupled with magnetism, it is predicted to be particularly suitable for spintronic applications. However, experimental realization of free-standing silicene and its magnetic derivatives is lacking. Fortunately, magnetism can be induced into silicene layers, in particular, by intercalation. Here, a successful synthesis of multilayer silicene intercalated by inherently magnetic Eu ions -a compound expected to exhibit both massless Dirac-cone states, as its Ca analogue, and a nontrivial magnetic structure -is reported. This new polymorph with EuSi 2 stoichiometry is epitaxially stabilized by continual replication of silicene layers employing Sr-intercalated multilayer silicene as a template. The atomic structure of the new compound and its sharp interface with the template are confirmed using electron diffraction, X-ray diffraction, and electron microscopy techniques. Below 80 K, the material demonstrates anisotropic antiferromagnetism coexisting with weak ferromagnetism. The magnetic state is accompanied by an anomalous behavior of magnetoresistivity.

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Induce magnetism into silicene by embedding transition-metal atoms

Cited by 30 publications

References 41 publications

Ferromagnetism in Transitional Metal-Doped MoS2 Monolayer

Ferromagnetism in Transitional Metal-Doped MoS2 Monolayer

Transition Metal and Vacancy Defect Complexes in Phosphorene: A Spintronic Perspective

Engineering of Magnetically Intercalated Silicene Compound: An Overlooked Polymorph of EuSi₂

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Induce magnetism into silicene by embedding transition-metal atoms

Cited by 30 publications

References 41 publications

Ferromagnetism in Transitional Metal-Doped MoS2 Monolayer

Ferromagnetism in Transitional Metal-Doped MoS2 Monolayer

Transition Metal and Vacancy Defect Complexes in Phosphorene: A Spintronic Perspective

Engineering of Magnetically Intercalated Silicene Compound: An Overlooked Polymorph of EuSi2

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Engineering of Magnetically Intercalated Silicene Compound: An Overlooked Polymorph of EuSi₂