Dresden 2026 – scientific programme
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O: Fachverband Oberflächenphysik
O 67: Focus Session: Unoccupied States by Inverse Photoemission II
O 67.7: Talk
Wednesday, March 11, 2026, 16:45–17:00, WILL/A317
Peak separation analysis for inverse photoelectron spectra: Comparing second derivative, curve fitting, and deconvolution — •ryotaro nakazawa1,2, haruki sato2, and hiroyuki yoshida2 — 1Institute for Molecular Science, Aichi, Japan — 2Chiba University, Chiba, Japan
Inverse photoelectron spectroscopy (IPES) is a powerful technique for probing the unoccupied electronic states of materials. Recently developed low-energy inverse photoelectron spectroscopy (LEIPS) can significantly advance the study of unoccupied states, owing to minimal sample damage and suppressed dark counts compared to conventional IPES. However, the instrumental resolution remains at around 0.2 eV, which is one order of magnitude lower than that of photoelectron spectroscopy. Spectral broadening caused by the low instrumental resolution often results in overlapping peaks. Peak separation is therefore crucial in the analysis of LEIPS spectra. In this study, we compared three peak separation methods: second derivative, curve fitting, and deconvolution. These methods were applied to modeled and experimental LEIPS spectra of the lowest unoccupied molecular orbital-derived band of pentacene, which consists of two splitting peaks due to the two inequivalent molecules in the unit cell. We systematically and quantitatively evaluated the performance of each method in terms of analysis parameters and discussed its robustness to noise as well as its peak separation and detection capabilities. This work offers a practical framework for peak separation in LEIPS, with extensions to PES and a wide range of spectroscopies.
Keywords: Pentacene; Smoothing; Deconvolution; Second derivative; Curve fitting