Focusing on the excitonic effects, the present study deals with the sulfur K and L2,3 edge spectra of Janus zirconium and hafnium dichalcogenide monolayers and compares with those of the pristine zirconium and hafnium disulfide monolayers and bulks. The changes in the edge spectra are attributed to the changes in the crystal structure, symmetry, and electronic nature of studied dichalcogenides. The phase transition changes the sulfur K and L2,3 edge X-ray absorption near edge structure (XANES), decreasing the relative spectral intensities and shifting the main peaks to higher energies. Considering the electron-hole coupling reproduces the bound excitonic features and redistributes the oscillator strengths near the edge onsets.

中文翻译：

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硫 K 和 L2,3 边缘的 Janus 锆和铪二硫化物单层的岩心级光谱，包括激子效应


本研究着眼于激子效应，处理了 Janus 锆和铪二硫化物单层的硫 K 和 L2,3 边缘光谱，并与原始锆和二硫化物单层和块体的光谱进行了比较。边缘光谱的变化归因于所研究的二硫化物的晶体结构、对称性和电子性质的变化。相变改变了硫 K 和 L2,3 边缘 X 射线吸收近边缘结构 （XANES），降低了相对光谱强度并将主峰转移到更高的能量。考虑到电子-空穴耦合再现了束缚的激子特征，并在边缘起点附近重新分配了振荡器强度。