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説明:

The energy loss function (ELF) describes the interaction between electrons and matter in solids. The optical constants or ELFs of most compounds are typically unknown in the 10–50 eV energy range, where electron–solid interactions are strong, owing to experimental difficulty. In this study, ELFs and optical constants were calculated for 35 inorganic semiconductors in a wide energy range (0.1 eV to 1 MeV) using first-principles calculations with FEFF and WIEN2k. The resulting 35 ELFs were evaluated using two sum rules, the f-sum rule and the Kramers–Kronig sum rule, resulting in average relative errors of 1.6% and 0.05%, respectively. The calculated ELFs for InAs, GaAs and InSb agreed well with the experimental ELFs obtained from the transmission electron energy loss spectroscopy (EELS) experiments and the reflection EELS experiments. The resulting database of ELFs and optical constants for 35 compound semiconductors was concluded to be accurate and useful for understanding the inelastic scattering processes of semiconductors with respect to IMFPs and electron stopping powers. All detailed data are available in the materials data repository (MDR) provided by the National Institute for Materials Science.

権利情報:

• Creative Commons BY Attribution 4.0 International
  

キーワード: Energy loss function, Optical constant, First-principles calculation, Compound semiconductor, Inelastic mean free paths

刊行年月日: 2021-07-15

出版者: Surface Science Society Japan

掲載誌:

• e-Journal of Surface Science and Nanotechnology (ISSN: 13480391) vol. 19 p. 70-87

研究助成金:

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.1380/ejssnt.2021.70

関連資料:

• is_supplemented_by
• First-principles calculations of optical constants (dataset)
• https://doi.org/10.34968/nims.1434

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更新時刻: 2026-02-04 12:30:04 +0900

MDRでの公開時刻: 2026-02-04 09:41:42 +0900