论文标题

二硫化钨单层激素光谱的多维分析:迈向计算机辅助识别2D材料的结构和环境扰动

Multidimensional Analysis of Excitonic Spectra of Monolayers of Tungsten Disulphide: Towards Computer Aided Identification of Structural and Environmental Perturbations of 2D Materials

论文作者

Kolesnichenko, Pavel V., Zhang, Qianhui, Zheng, Changxi, Fuhrer, Michael S., Davis, Jeffrey A.

论文摘要

尽管2D材料对广泛的应用具有巨大的希望,但设备的扩散及其实现现实生活的需求仍然远未实现。实验可获得的样品通常会经历广泛的扰动(波纹和皱纹,点和线路缺陷,晶界,应变场,掺杂,水插入,氧化,边缘重建),从而显着偏离理想主义模型。通常,这些扰动可以纠缠或发生在每个组中,形成一个复杂的扰动,从而解释了可观察的物理特性,即使对于经验丰富的研究人员来说,同时造成了高度不平凡的任务的解释。在这里,我们将单层WS2激素光谱的统计相关分析概括为多维病例,通过高光谱吸收和光致发光成像获取,并通过无探明的机器学习算法检查多维相关性。使用原理成分分析,我们能够鉴定4种与拉伸应变相关的主要成分,这是由环境分子的吸附或插入,多层区域和电荷掺杂引起的。这种方法有可能通过简单的光学测量来确定WS2单层或其他2D材料的本地环境,并为单层物质的高级,机械辅助,表征铺平了道路。

Despite 2D materials holding great promise for a broad range of applications, the proliferation of devices and their fulfillment of real-life demands are still far from being realized. Experimentally obtainable samples commonly experience a wide range of perturbations (ripples and wrinkles, point and line defects, grain boundaries, strain field, doping, water intercalation, oxidation, edge reconstructions) significantly deviating the properties from idealistic models. These perturbations, in general, can be entangled or occur in groups with each group forming a complex perturbation making the interpretations of observable physical properties and the disentanglement of simultaneously acting effects a highly non-trivial task even for an experienced researcher. Here we generalise statistical correlation analysis of excitonic spectra of monolayer WS2, acquired by hyperspectral absorption and photoluminescence imaging, to a multidimensional case, and examine multidimensional correlations via unsupervised machine learning algorithms. Using principle component analysis we are able to identify 4 dominant components that are correlated with tensile strain, disorder induced by adsorption or intercalation of environmental molecules, multi-layer regions and charge doping, respectively. This approach has the potential to determine the local environment of WS2 monolayers or other 2D materials from simple optical measurements, and paves the way towards advanced, machine-aided, characterisation of monolayer matter.

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