Intrinsic and anisotropic Rashba spin splitting in Janus transition-metal dichalcogenide monolayers

Hu, Tao; Jia, Fanhao; Zhao, Guodong; Wu, Jiongyao; Stroppa, Alessandro; Ren, Wei

doi:10.1103/physrevb.97.235404

Cited by 247 publications

(173 citation statements)

References 47 publications

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“…An alternative route consists in breaking the out-of-plane mirror symmetry (in 1H phases) or the crystal inversion symmetry (in 1T phases) by substituting one of the two chalcogen layers with a layer of another chalcogen species. The resulting ternary compounds, so-called Janus after the biface Roman god, are predicted to exhibit strong Rashba SOC, possibly altered by mechanical stress and external electric fields 4,5 . The internal electric field in Janus TMDCs may be exploited also in piezoelectric devices 6 and p-n junctions 7 .…”

Section: Introductionmentioning

confidence: 99%

Synthesis of epitaxial monolayer Janus SPtSe

et al. 2020

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Janus single-layer transition metal dichalcogenides, in which the two chalcogen layers have a different chemical nature, push chemical composition control beyond what is usually achievable with van der Waals heterostructures. Here, we report such a Janus compound, SPtSe, which is predicted to exhibit strong Rashba spin–orbit coupling. We synthetized it by conversion of a single-layer of PtSe2 on Pt(111) via sulfurization under H2S atmosphere. Our in situ and operando structural analysis with grazing incidence synchrotron X-ray diffraction reveals the process by which the Janus alloy forms. The crystalline long-range order of the as-grown PtSe2 monolayer is first lost due to thermal annealing. A subsequent recrystallization in presence of a source of sulfur yields a highly ordered SPtSe alloy, which is isostructural to the pristine PtSe2. The chemical composition is resolved, layer-by-layer, using angle-resolved X-ray photoelectron spectroscopy, demonstrating that Se-by-S substitution occurs selectively in the topmost chalcogen layer.

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Section: Introductionmentioning

confidence: 99%

Synthesis of epitaxial monolayer Janus SPtSe

et al. 2020

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“…Unlike the conventional TMDs, Janus TMDs can break the intrinsic in‐plane symmetry and out‐of‐plane mirror symmetry directly, resulting in enhanced in‐plane piezoelectricity and additional out‐of‐plane piezoelectricity . The structural and electronic properties of 2D Janus TMDs showed that MXY (M=Mo/W; X, Y=Se, Te, S; X≠Y) possess desirable energy gaps and high stability . ZrSeS and HfSeS monolayers are suitable candidates for nanoscale electronics due to the high carrier mobility .…”

Section: Introductionmentioning

confidence: 99%

Vacancy‐Induced Oxygen Reduction Activity in Janus Transition Metal Dichalcogenides

Meng

Gao

et al. 2020

ChemElectroChem

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In the past few years, transition metal dichalcogenides (TMDs) have attracted extensive attention in the development of oxygen reduction reaction (ORR) catalysts. Herein, a new family of TMDs, Janus TMDs, as ORR catalyst has been investigated by employing the density functional methods. Our results indicated that the pristine Janus TMDs (MoXY, X, Y=S, Se, Te; X≠Y) and MoXY with X vacancy have poor ORR activity. In contrast, MoXY with Mo vacancy, i. e., MoXY‐SV‐Mo are good ORR catalysts due to the moderate adsorption strength of the ORR intermediates. In particular, MoSeS‐SV‐Mo possess the highest ORR activity with a low overpotential of 0.51 V. In addition, the ORR activity is slightly improved under tensile strain, while the compressive strain reduces the ORR activity. These results demonstrated that creating Mo vacancy in MoXY can modulate the ORR activity of Janus TMDs effectively.

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“…[ 57 ] Previous studies have shown that PBE calculation is more accurate than hybrid functional for transition metal oxides and the bandgap of the hybrid functional calculation is higher than the experimental value. [ 58–65 ] In our previous contribution, the bandgap of Janus MoSSe is calculated with PBE‐GGA and HSE06 and the value of the obtained bandgap is 1.58 and 2.09 eV. [ 66 ] Obviously, the former functional agrees with the experimental value of 1.68 eV.…”

Section: Theoretical Methods and Modelingmentioning

confidence: 59%

The Strain and Electric Field Effects on the Electronic and Optical Properties of Armchair MoSSe/WSSe Superlattice Nanoribbon: A First‐Principles Study

Guo

Sun

et al. 2020

Physica Status Solidi (b)

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The electronic and optical properties of armchair Janus MoSSe/WSSe superlattice nanoribbons (A‐JSLNRs) under strain and electric field are studied by first‐principles calculations. The bandgap of A‐JSLNRs can be dramatically modulated by axial strain and transverse electric field. The optical absorption edge shows an obvious red‐shift trend with the increasing strain, and the absorption peak for the visible light will be enhanced significantly as strain decreases from 8% to −8%. The general rule for the change of the bandgap and the optical absorption tuned by strain is explained well according to the different changes of near‐band‐edge states. Moreover, the transverse electric field will induce a semiconductor–metal transition to the A‐JSLNRs. Based on the results, the electronic bandgap and optical properties of A‐JSLNRs shows sensitivity to the applied strain and external electric field, which can be used to effectively tune the properties of A‐JSLNRs to make them suitable for optoelectronic applications.

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Intrinsic and anisotropic Rashba spin splitting in Janus transition-metal dichalcogenide monolayers

Cited by 247 publications

References 47 publications

Synthesis of epitaxial monolayer Janus SPtSe

Synthesis of epitaxial monolayer Janus SPtSe

Vacancy‐Induced Oxygen Reduction Activity in Janus Transition Metal Dichalcogenides

The Strain and Electric Field Effects on the Electronic and Optical Properties of Armchair MoSSe/WSSe Superlattice Nanoribbon: A First‐Principles Study

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