Idealizing Tauc Plot for Accurate Bandgap Determination of Semiconductor with Ultraviolet–Visible Spectroscopy: A Case Study for Cubic Boron Arsenide

• Published in: The journal of physical chemistry letters 2023-07, Vol.14 (29), p.6702-6708
• Main Authors: Zhong, Hong, Pan, Fengjiao, Yue, Shuai, Qin, Chengzhen, Hadjiev, Viktor, Tian, Fei, Liu, Xinfeng, Lin, Feng, Wang, Zhiming, Bao, Jiming
• Format: Article
• Language: English
• Subjects: Physical Insights into Light Interacting with Matter
• ISSN: 1948-7185; 1948-7185
• DOI: 10.1021/acs.jpclett.3c01416

The Tauc plot is widely used to determine the bandgap of semiconductors, but the actual plot often exhibits significant baseline absorption below the expected bandgap, leading to bandgap discrepancies from two different extrapolations. In this work, we first discuss the origin of baseline absorption and show that both extrapolation methods can produce significant errors by simulating Tauc plots with varying levels of baseline absorption. We then propose and experimentally verify a new method that idealizes the absorption spectrum by removing its baseline before constructing the Tauc plot. Finally, we apply this new method to cubic boron arsenide (c-BAs), resolve its bandgap discrepancies, and obtain a converging bandgap of 1.835 eV based on both previous and new transmission spectra. The method is applicable to both indirect and direct bandgap semiconductors with absorption spectrum measured via transmission or diffuse reflectance, which will become essential to obtain accurate values of their bandgaps.