J. Semicond. > 2022, Volume 43 > Issue 4 > 042501, doi: 10.1088/1674-4926/43/4/042501

ARTICLES

Janus VXY monolayers with tunable large Berry curvature

Wenrong Liu, Xinyang Li, Changwen Zhang and Shishen Yan

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 Corresponding author: Changwen Zhang, ss_zhangchw@ujn.edu.cn

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Abstract: The Rashba effect and valley polarization provide a novel paradigm in quantum information technology. However, practical materials are scarce. Here, we found a new class of Janus monolayers VXY (X = Cl, Br, I; Y = Se, Te) with excellent valley polarization effect. In particular, Janus VBrSe shows Zeeman type spin splitting of 14 meV, large Berry curvature of 182.73 bohr2, and, at the same time, a large Rashba parameter of 176.89 meV·Å. We use the k·p theory to analyze the relationship between the lattice constant and the curvature of the Berry. The Berry curvature can be adjusted by changing the lattice parameter, which will greatly improve the transverse velocities of carriers and promote the efficiency of the valley Hall device. By applying biaxial strain onto VBrSe, we can see that there is a correlation between Berry curvature and lattice constant, which further validates the above theory. All these results provide tantalizing opportunities for efficient spintronics and valleytronics.

Key words: Janus VXY, valley polarization, k·p theory, large Berry curvature



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Fig. 1.  (Color online) (a, b) Top and side views of SL VXY. The illustrations in (a) indicate VXY trigonal prismatic geometry. (c) The 2D Brillouin zone of VXY.

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Fig. 2.  (Color online) (a) Calculated electronic band structures of the VBrSe monolayer without and with SOC. (b) The projected band structures of the VbrSe monolayer without and with SOC, respectively.

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Fig. 3.  (Color online) (a, b) In-plane spin-polarization components of two bands around Γ. (c) Magnified view of the band structure around Γ. (d) Spin texture of Janus VBrSe.

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Fig. 4.  (Color online) Comparison of Rashba parameters of VXY structure with MoSSe, MoSTe and WSSe.

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Fig. 5.  (Color online) (a) Valley and spin coupling in VXY optical selection rules. Discrete valleys coupled to different circular helicities (σ+, σ−) with transition frequencies (ωu, ωd). (b) Photoinduced valley Hall effect when circularly polarized light incident on it, in which the charge Hall current is spin and valley polarized. (c) Spin and valley Hall effects under linearly polarized optical field. (d) Valley polarization with opposite circular polarization having a frequency ωu and ωd.

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Fig. 6.  (Color online) Berry curvature of Janus VBrSe (a) in the full Brillouin zone and (c) along high-symmetry points. (b) Berry curvature value of VXY. (d) Diagrammatic sketch of valley Hall effects and rapid carrier transfer in Janus VBrSe.

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Fig. 7.  (Color online) (a) Changes in Berry curvature of VBrSe with external strain. (b) The relevance between strain and the value of berry curvature.

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Table 1.   The structural parameters, band gaps, total magnetic moments $ {m}_{\mathrm{T}} $ (${\mu }_{\rm B}$) and local magnetic moments $ {m}_{\mathrm{V}} $ (${\mu }_{\rm B}$) of VXY monolayers are calculated. The lattice constant ($ a $ = b), bond length of V–X(l1) and V–Y(l2) are presented. In each VXY system, the atomic number of Y is greater than that of X, so that l1 < l2.

Typea, b (Å)l1, l2 (Å)$ {{\theta }}_{1},{{\theta }}_{2} $ (°)$ {\Delta }{l},{\Delta }{\theta } $${ {E} }_{\rm{c} }$ (eV)${ {m} }_{\rm{T} }$ (${ {\mu } }_{ \rm{B} }$)${ {m} }_{\rm{V} }$ (${ {m } }_{ \rm{B} }$)
VClSe3.2552.479, 2.44740.7, 39.80.03, 0.87–2.150.0000.000
VClTe3.3972.676, 2.47642.9, 37.60.20, 5.24–2.360.0000.000
VBrSe3.3532.498, 2.58139.2, 41.40.08, 2.20–1.640.0000.000
VBrTe3.4852.689, 2.60441.6, 39.40.09, 2.16–1.670.0000.000
VISe3.5132.537, 2.75336.9, 42.60.22, 5.63–3.360.0000.000
VITe3.6182.716, 2.76239.8, 40.90.02, 1.11–3.520.0000.000
DownLoad: CSV

Table 2.   Band structure analysis of VXY. ΔC and ΔV are the magnitude of the energy band split between the conduction band and the valence band at point K. Eg is the band gap at K point. $ {E}_{\mathrm{r}} $ and Kr are the splitting of the energy and wave vector. $ {\alpha }_{\mathrm{r}} $ is the Rashba parameter.

TypeΔC (meV)ΔV (meV)$ {E}_{\mathrm{g}} $ (eV)$ {E}_{\rm{g}} $/SOC (eV)$ {E}_{\rm{r}} $ (meV)$ {K}_{\rm{r}} $ (Å–1)$ {\alpha }_{\mathrm{r}} $ (meV·Å)
VClSe0.093110.8710.8208.010.17691.01
VClTe0.135180.7340.65410.020.168119.26
VBrSe0.111140.7580.69415.040.170176.89
VBrTe0.150180.6460.5588.980.141127.39
VISe0.132150.6140.54028.040.144389.43
VITe0.166170.5320.43867.930.192707.60
DownLoad: CSV
[1]
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    Received: 29 December 2021 Revised: 16 January 2022 Online: Accepted Manuscript: 09 March 2022Uncorrected proof: 10 March 2022Published: 18 April 2022

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      Article Navigation >  Journal of Semiconductors  > 2022  >  43(4): 042501
      Wenrong Liu, Xinyang Li, Changwen Zhang, Shishen Yan. Janus VXY monolayers with tunable large Berry curvature[J]. Journal of Semiconductors, 2022, 43(4): 042501. doi: 10.1088/1674-4926/43/4/042501 W R Liu, X Y Li, C W Zhang, S S Yan. Janus VXY monolayers with tunable large Berry curvature[J]. J. Semicond, 2022, 43(4): 042501. doi: 10.1088/1674-4926/43/4/042501Export: BibTex EndNote
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      Wenrong Liu, Xinyang Li, Changwen Zhang, Shishen Yan. Janus VXY monolayers with tunable large Berry curvature[J]. Journal of Semiconductors, 2022, 43(4): 042501. doi: 10.1088/1674-4926/43/4/042501

      W R Liu, X Y Li, C W Zhang, S S Yan. Janus VXY monolayers with tunable large Berry curvature[J]. J. Semicond, 2022, 43(4): 042501. doi: 10.1088/1674-4926/43/4/042501
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      Janus VXY monolayers with tunable large Berry curvature

      doi: 10.1088/1674-4926/43/4/042501

      • School of Physics and Technology, Spintronics Institute, University of Jinan, Jinan 250022, China

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      • Author Bio:

        Wenrong Liu master's degree student of School of Physical Science and Technology, University of Jinan, Class of 2019, Discipline: Physics. Born in Jinan, Shandong Province, she is currently the deputy secretary of the Physics Student Party Branch as well as the class president, and has been awarded several academic scholarships and outstanding student leaders at the university level

        Xinyang Li a 2019 master's student of the School of Physical Science and Technology, University of Jinan. Discipline: Physics. Born in Jining, Shandong Province, he was awarded academic scholarship and outstanding student at school level during his school years, and published two papers

        Changwen Zhang a special guest expert of Shandong Province Taishan Scholar. He has published more than 130 SCI papers, which have been cited and searched more than 2500 times, 11 ESI highly cited papers, and the related research results have been written into academic monographs. He has hosted more than 10 projects of the National Natural Science Foundation of China

      • Corresponding author: ss_zhangchw@ujn.edu.cn
      • Received Date: 2021-12-29
      • Accepted Date: 2022-03-08
      • Revised Date: 2022-01-16
        • Available Online: 2022-03-22

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