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无峰值分解的超光谱莫尔光致发光逆计量学

Peak-Decomposition-Free Inverse Metrology of Hyperspectral Moiré Photoluminescence

Katsunori Wakabayashi

arXiv 2607.12325首次发表:更新:

AI 中文总结

研究莫尔过渡金属二硫族化合物异质双层高光谱PL中提取信息的问题,开发无峰值分解逆框架,通过构建描述符映射、匹配生成模型推断有效无序坐标,为光学无序诊断提供实用途径及可重复分析工作流程核心。

AI 中文摘要

莫尔过渡金属二硫族化合物异质双层的高光谱光致发光(PL)编码了空间变化的激子景观,但多峰光谱分解的模糊性阻碍了信息提取。在此,我们开发了一种无峰值分解的逆框架,用于有效无序坐标的定量光学计量。从原始数据立方体\(I(x,y,E)\)构建有物理动机的描述符映射,其空间自相关层次和协方差结构形成多尺度无序敏感光谱统计的稳健描述符指纹。通过网格贝叶斯逆将这些描述符摘要统计与最小平滑加陷阱生成模型匹配,推断有效无序坐标\(\Theta_{eff}=\{\Ws,\xis,\Wt,\nt\}\)并带有明确不确定性。使用从受控多尺度景观生成的合成PL立方体,恢复了明确的平滑无序坐标并限制了陷阱部分。报告了这种简并性作为固有可识别性限制,绘制了四个典型无序区域到无序坐标图上。描述符统计对散粒噪声和像素间距稳定,在光学分辨率和能量窗口变化下表现可预测。相同管道无需修改即可处理实验立方体,直接适用于二维和莫尔材料。结果将基于描述符的高光谱PL确立为光学无序诊断的实用、最小假设途径,并为莫尔激子系统提供了可重复使用分析工作流程(\texttt{HyperPL-Diag})的经过验证的核心。

英文摘要

Hyperspectral photoluminescence (PL) of moiré transition-metal dichalcogenide heterobilayers encodes spatially varying exciton landscapes, but extracting that information is hampered by the ambiguity of multi-peak spectral decomposition. Here we develop a peak-decomposition-free inverse framework for quantitative optical metrology of effective disorder coordinates. From the raw cube $I(x,y,E)$ we construct physically motivated descriptor maps -- centroid energy, dominant emission energy, spectral width, low/high spectral-weight ratio, and dominant--centroid offset. Their spatial autocorrelation hierarchy and covariance structure form a robust descriptor fingerprint of multi-scale disorder-sensitive spectral statistics. By matching these descriptor summary statistics to a minimal smooth-plus-trap generative model through a grid-Bayesian inverse, we infer effective disorder coordinates $\Thetaeff=\{\Ws,\xis,\Wt,\nt\}$ with explicit uncertainties. Using synthetic PL cubes generated from controlled multi-scale landscapes, we recover the well-identified smooth-disorder coordinates and constrain the trap sector up to a strength--density degeneracy. We report this degeneracy explicitly as an intrinsic identifiability limit rather than a deficiency of the method, and map four canonical disorder regimes onto a disorder-coordinate diagram. The descriptor statistics are stable against shot noise and pixel pitch, and behave predictably under optical-resolution and energy-window changes. The same pipeline ingests experimental cubes without modification, making it directly applicable to two-dimensional and moiré materials. Our results establish descriptor-based hyperspectral PL as a practical, minimal-assumption route to optical disorder diagnostics and provide the validated core of a reusable analysis workflow (\texttt{HyperPL-Diag}) for moiré exciton systems.

Comments14 pages, 10 figures

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