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Atomically Asymmetric Inversion Scales up to Mesoscopic Single-Crystal Monolayer Flakes.
ACS Nano ( IF 15.8 ) Pub Date : 2020-09-01 , DOI: 10.1021/acsnano.0c06198
Rui Xu 1, 2 , Fei Pang 1 , Yuhao Pan 1 , Yingzhuo Lun 3 , Lan Meng 4 , Zhiyue Zheng 5 , Kunqi Xu 1 , Le Lei 1 , Sabir Hussain 2 , Yan Jun Li 6 , Yasuhiro Sugawara 6 , Jiawang Hong 3 , Wei Ji 1 , Zhihai Cheng 1
ACS Nano ( IF 15.8 ) Pub Date : 2020-09-01 , DOI: 10.1021/acsnano.0c06198
Rui Xu 1, 2 , Fei Pang 1 , Yuhao Pan 1 , Yingzhuo Lun 3 , Lan Meng 4 , Zhiyue Zheng 5 , Kunqi Xu 1 , Le Lei 1 , Sabir Hussain 2 , Yan Jun Li 6 , Yasuhiro Sugawara 6 , Jiawang Hong 3 , Wei Ji 1 , Zhihai Cheng 1
Affiliation
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Symmetry is highly relevant with various quantities and phenomena in physics. While the translational symmetry breaks at the edges of two-dimensional hexagonal crystalline flakes, it is usually associated with the breaking of central inversion symmetry that is yet to be observed in terms of physical properties. Here, we report an experiment–theory joint study on in-plane compressed single-crystal monolayer WS2 flakes. Although the flakes show a hexagonal appearance with a C6 symmetry, our density functional theory calculations predict that their in-plane strain, geometric structure, work-function, energy bandgap, and mechanical modulus are nonequivalent among the triangular regions with different edge terminations at the atomic scale, and the flakes exhibit self-patterns with a C3 symmetry. Such nonequivalence of physical properties and concomitant self-patterns persist even in a 50 μm-sized monolayer WS2, observed using atomic force microscopy. This indicates that the symmetry arising from the atomic geometry could preserve up to tens of microns for both geometric and properties of the flake, regardless of its mesoscopic geometry, i.e., C6 here. Such a detectable mesoscopic scale and symmetric nano- to mesoscale patterns provide promising building blocks for 2D materials and devices and also allow edge terminations of 2D flakes to be directly distinguished.
中文翻译:
原子不对称反演可扩展至介观单晶单层薄片。
对称性与物理学中的各种数量和现象高度相关。尽管平移对称性在二维六边形晶体薄片的边缘处破裂,但通常与中心反转对称性的破裂有关,这在物理性质方面尚待观察。在这里,我们报告了一个关于面内压缩单晶WS 2薄片的实验理论联合研究。尽管薄片显示出具有C 6对称性的六边形外观,但是我们的密度泛函理论计算预测,在不同边缘终止处的三角形区域中,它们的面内应变,几何结构,功函数,能带隙和机械模量不相等。原子尺度,并且薄片显示出带有C的自模式3对称。使用原子力显微镜观察到,即使在50μm大小的单层WS 2中,这种物理性能和伴随的自我模式的不相等仍然存在。这表明由原子几何形状引起的对称性对于薄片的几何形状和性质都可以保留多达数十微米,而与薄片的介观几何形状(即此处的C 6)无关。这种可检测的介观尺度和对称的纳米尺度到介观尺度模式为2D材料和设备提供了有前途的构建基块,并且还可以直接区分2D薄片的边缘终止。
更新日期:2020-10-28
中文翻译:
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原子不对称反演可扩展至介观单晶单层薄片。
对称性与物理学中的各种数量和现象高度相关。尽管平移对称性在二维六边形晶体薄片的边缘处破裂,但通常与中心反转对称性的破裂有关,这在物理性质方面尚待观察。在这里,我们报告了一个关于面内压缩单晶WS 2薄片的实验理论联合研究。尽管薄片显示出具有C 6对称性的六边形外观,但是我们的密度泛函理论计算预测,在不同边缘终止处的三角形区域中,它们的面内应变,几何结构,功函数,能带隙和机械模量不相等。原子尺度,并且薄片显示出带有C的自模式3对称。使用原子力显微镜观察到,即使在50μm大小的单层WS 2中,这种物理性能和伴随的自我模式的不相等仍然存在。这表明由原子几何形状引起的对称性对于薄片的几何形状和性质都可以保留多达数十微米,而与薄片的介观几何形状(即此处的C 6)无关。这种可检测的介观尺度和对称的纳米尺度到介观尺度模式为2D材料和设备提供了有前途的构建基块,并且还可以直接区分2D薄片的边缘终止。