Unveiling the Origin of Spurious Features in THz-TDS of Powder Compacts

Terahertz time-domain spectroscopy (THz-TDS) is a vital tool for scientific and industrial analysis, however, many commonly analyzed products, such as those found in pharmaceutical, agriculture, and mining sectors, are produced as powders or granular materials, and these sample morphologies have been reported to produce anomalous spectral features which can often obscure known material resonances. The cause of these anomalous features has been poorly understood, making it difficult to predict their presence and limiting the applicability of THz–TDS for such materials. Here, we systematically study how the sample morphology of granular compacts produces anomalous spectral features by performing extensive experimental measurements on two-part powder compacts with varying microsphere size and concentration. Further, we employ ray-tracing simulations to identify the physical mechanism whereby these spectral features arise owing to variations in optical path length within the heterogeneous sample. We believe this is the first time that the physical cause of spurious spectral features within powder samples has been adequately explained and that a robust method has been presented for modeling this effect. By understanding these features, we propose that instead of being seen as a parasitic effect, their presence can be utilised to extract morphological properties of the samples, thereby enhancing the utility of THz-TDS for granular materials.