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二维Janus原子晶体的电子性质

王盼 宗易昕 文宏玉 夏建白 魏钟鸣

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二维Janus原子晶体的电子性质

王盼, 宗易昕, 文宏玉, 夏建白, 魏钟鸣

Electronic properties of two-dimensional Janus atomic crystal

Wang Pan, Zong Yi-Xin, Wen Hong-Yu, Xia Jian-Bai, Wei Zhong-Ming
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  • 自从石墨烯问世以来, 具有各种新奇特性的二维材料在光电设备、自旋电子器件和谷电子器件等领域受到越来越多的关注. 其中, 使用各种分子基团对石墨烯进行不对称官能化时出现的优异性质, 引发了人们对其他具有不对称表面特性的Janus二维材料的研究. 作为二维材料的重要衍生物, Janus二维材料(尤其是Janus过渡金属硫化物)已成为近年来的研究热点. 实验和理论上均已证实这类材料由于具有镜面不对称性而拥有新颖的特性, 例如强的Rashba效应和平面外压电极化, 为其在传感器、制动器和其他机电设备中的应用提供了广阔的前景. 本文综述了新兴的Janus二维材料(包括Janus石墨烯, 各种Janus 二维材料以及Janus二维范德瓦耳斯异质结)的最新研究进展, 总结了Janus二维材料独特的电子性质和潜在的应用. 最后, 给出了对Janus二维材料进行下一步探索的结论和展望.
    Since the advent of graphene, two-dimensional materials with various novel properties have received more and more attention in the fields of optoelectronic devices, spintronics and valley electronic devices. Among them, the excellent properties that appear in graphene with various molecular groups for asymmetric functionalization have led to the research of other Janus two-dimensional materials with asymmetric surface characteristics. As an important derivative of two-dimensional materials, Janus two-dimensional materials (especially Janus transition metal chalcogenides) have become a research hotspot in recent years. Both experiment and theory have confirmed that this kind of material has mirror asymmetry and novel characteristics, such as strong Rashba effect and out-of-plane piezoelectric polarization, and thus showing a great prospect for its applications in sensors, actuators, and other electromechanical devices. In this review we introduce the recent research progress of emerging Janus two-dimensional materials (including Janus graphene, various Janus two-dimensional materials and Janus two-dimensional van der Waals heterojunction), and summarize the unique electronic properties and potential applications of Janus two-dimensional materials. Finally, we draw some conclusions and depict a prospect of further exploration of Janus two-dimensional materials.
      通信作者: 魏钟鸣, zmwei@semi.ac.cn
    • 基金项目: 国家重点基础研究发展计划(批准号: 2018YFB2200501)和国家自然科学基金(批准号: 11904360)资助的课题
      Corresponding author: Wei Zhong-Ming, zmwei@semi.ac.cn
    • Funds: Project supported by the National Key Research and Development Program of China (Grant No. 2018YFB2200501) and the National Natural Science Foundation of China (Grant No. 11904360)
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  • 图 1  (a)椅形、船形、锯齿形和扶手椅形等氢/氟化石墨烯的四种不同结构, 不同的颜色(阴影)表示石墨烯平面上方和下方的吸附物(H或F)[90]; (b) HFC-1和HFC-2的俯视图和侧视图[95]; (c)结构优化的石墨烯衍生物HFC-1和HFC-2的电子能带结构和相应的态密度[95]; (d)对于C2HF和C4HF的每种构型, 沿石墨烯片的x方向(定义在顶部插图中)施加单轴应变ε11会引起垂直于平面的极化变化[99]

    Fig. 1.  (a) Four different configurations of hydrogen/fluorine-graphene: Chair, boat, zigzag, and armchair configurations, the different colors (shades) represent adsorbates (H or F) above and below the graphene plane[90]; (b) top and side views of HFC-1 and HFC-2; (c) electronic band structure and corresponding density of states of the optimized structures of graphene derivatives HFC-1 and HFC-2[95]; (d) applying uniaxial strain ε11 along the x-direction (defined in top inset) of the graphene sheet induces a change in polarization normal to the plane for each configuration for C2HF and C4HF[99].

    图 2  (a)优化后的WSSe单层结构和垂直于WSSe单层方向的平均静电势, 插图是差分电荷密度, 其中红色和蓝色分别表示电子的积累和耗尽[110]; (b)通过HSE和SOC方法给出Janus MXY单层的能带结构[111]; (c)当单轴应变ε1在–0.5%—0.5%之间时, MoSTe单层的面内和面外压电极化的线性变化, 给出e11e31值(单位:10–10 C/m)[74]

    Fig. 2.  (a) Optimized structure of the WSSe monolayer, and the average electronic potential energy in the vertical direction of the WSSe monolayer, the inset is the differential charge density, where the red and blue mean accumulation and depletion of electrons, respectively[110]; (b) band structures of monolayer Janus MXY are given by HSE and SOC methods[111]; (c) linear changes of in-plane and out-of-plane piezoelectric polarizations of the MoSTe monolayer occur when subject to a uniaxial strain ε1 between –0.5% and 0.5%, giving its e11 and e31 values (unit: 10–10 C/m)[74].

    图 3  (a)Janus硅的晶体结构(俯视图和侧视图)及其第一布里渊区[132]; (b)单层Janus M2XY单层的俯视图和侧视图以及及其第一布里渊区[138]; (c)Janus III族硫化物单层离子弛豫的压电系数d11d31[139]; (d)b(zigzag)方向上的单轴应变引起的铁弹性转变(上图), 在armchair方向的单轴应变下2H VSSe单层的面内和面外压电极化的线性变化(下图)[150]

    Fig. 3.  (a) Crystal structure of Janus silicene (top and side view) and their first Briliouin zone[132]; (b) top and side view of a single-layer Janus M2XY monolayer, the reciprocal lattice vectors and high-symmetry points are also presented; (c) relaxed-ion piezoelectric coefficients d11 and d31 of Janus group-III chalcogenide monolayers[139]; (d) energy profiles of ferroelastic switching as a function of uniaxial strains in the b (zigzag) direction, linear changes in the in-plane and out-of-plane piezoelectric polarizations of the 2H VSSe monolayer under uniaxial strain (armchair)[150].

    图 4  (a) SPtSe/Gr和SePtS/Gr异质结中的肖特基势垒高度随层间距的变化[184]; (b) SPtSe/Gr和SePtS/Gr异质结中的肖特基势垒高度随外加电场的变化[184]; (c) 在K/K'点的能带偏移的示意图, (I)ΔEV > λV的类别1和(II)ΔEV < λV的类别2, 对于具有界面I2的(III)H相和(IV)R相WSSe/MoSSe vdW异质结构在K/K'点的的谷极化层间激子弛豫通道[180]; (d) GeC, MoSSe, WSSe及其对应的异质结的价带(VB)和导带(CB)边对齐[190]

    Fig. 4.  (a) Schottky barrier height in the SPtSe/Gr and SePtS/Gr heterostructures as a function of the interlayer spacing, respectively; (b) Schottky barrier height in the SPtSe/Gr and SePtS/Gr heterostructures as a function of the external electric field, respectively[184]; (c) schematic diagram for band offset at K/K′ point, (I) category 1 with ΔEV > λV and (II) category 2 with ΔEV < λV, valley polarized interlayer exciton relaxation channels at K/K′point for (III) H-phase and (IV) R-phase WSSe/MoSSe vdW heterostructures with interface I2[180]; (d) valence band (VB) and conduction band (CB) edge alignment of GeC, MoSSe, WSSe and their corresponding heterostructures[190].

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出版历程
  • 收稿日期:  2020-08-26
  • 修回日期:  2020-10-04
  • 上网日期:  2021-01-15
  • 刊出日期:  2021-01-20

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