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Inverse logarithmic derivative method for determining the energy gap and the type of electron transitions as an alternative to the Tauc method

DOI:10.1016/j.optmat.2018.12.041 期刊:Optical Materials 出版年份:2019 更新时间:2025-09-23 15:23:52
摘要: We present a method derived from Mott and Davies or Cody equation for calculating energy gap based on spectrophotometric measurements. The method has been tested on thin film TiO2 and MoS2/TiO2 bilayer produced by RF magnetron sputtering. The presented examples indicate that the Tauc and McLean methods, which are usually used to analyse data, are not justified in many cases, especially for multilayers. In the Tauc method, the problem is to determine the energy gap without knowing the nature of the optical transition. The McLean method involves fitting the power function which may cause difficulties in the proper selection of the fitting range. The presented method is based on the transformation of measurement data using inverse logarithmic derivative and performing of linear fittings. Our method does not assume value of the parameter m describing the nature of the optical transition and does not require knowledge of the thickness of the layers. The value of energy gap and parameter m can be obtained simultaneously thanks to one linear fit. In addition, this method has a practical advantages over methods of McLean and Tauc, which are described in the article.
作者: ?. Jarosiński,J. Pawlak,S.K.J. Al-Ani
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To present and validate a new method for determining the energy gap and type of electron transitions in semiconductor materials, as an alternative to existing methods like Tauc and McLean, addressing their limitations especially for multilayers.

The ILD method provides a reliable alternative to Tauc and McLean methods for determining energy gap and transition type, especially for multilayers. It allows simultaneous determination of Eg and m without prior assumptions, with results consistent with literature. The method shows practical advantages in handling complex samples and offers more accurate and unambiguous results.

The method requires smoothing of absorption data to achieve continuous functions for derivative calculations. The choice of derivative step and filter can affect the fitting accuracy, though the impact on results is minimal. It may be difficult to fit straight lines without proper filtering or step adjustment in some cases.

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