Electronic Structure Study of Fe Substituted RuO2 Semiconductor


  • Selen Gunaydin Department of Natural and Mathematical Sciences, Faculty of Engineering, Tarsus University, Tarsus, Turkey
  • Veysel Alcan Department of Electronic Engineering, Faculty of Engineering, Tarsus University, Tarsus, Turkey
  • Mahmoud Mirzaei Biosensor Research Center, School of Advanced Technologies in Medicine, Isfahan University of Medical Sciences, Isfahan, Iran
  • Osman Murat Ozkendir Department of Natural and Mathematical Sciences, Faculty of Engineering, Tarsus University, Tarsus, Turkey & Department of Energy Systems Engineering, School of Graduate Programs, Tarsus University, Tarsus, Turkey




Electrode , Oxides, Semiconductors, Absorption spectroscopy


RuO2 (ruthenium oxide) material is a popular semiconductor used for a wide technological interest. The influence of Fe substitution on the Ru coordinations in the RuO2 material has probed by the x-ray absorption (XAFS) calculations. Calculations were performed for Ru K-edge absorption spectroscopy in the RuO2 material. To study the influence of Fe atoms on the electronic structure of the Ru atoms, parent RuO2 material's calculation has been used as reference material during the analysis. In the RuO2 material, the analyses have shown that unoccupied 5s levels of the Ru atoms’ were hybridized with 2p levels of the oxygen and 3d levels of the iron atoms to build up molecular bands. The electronic bandgap of the RuO2 semiconductor was determined as 0.32 eV.


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How to Cite

Gunaydin, S., Alcan, V. ., Mirzaei, M. ., & Ozkendir, O. M. (2020). Electronic Structure Study of Fe Substituted RuO2 Semiconductor. Lab-in-Silico, 1(1), 7-10. https://doi.org/10.22034/lins2011007



Original Research Article