中国物理B ›› 2009, Vol. 18 ›› Issue (7): 2734-2738.doi: 10.1088/1674-1056/18/7/018

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X-ray absorption near the edge structure and x-ray photoelectron spectroscopy studies on pyrite prepared by thermally sulfurizing iron films

王宝义1, 魏龙1, 奎热西1, 钱海杰1, 刘应书2, 张辉3   

  1. (1)Multidisciplinary Research Center, Chinese Academy of Sciences, Beijing 100049, China; (2)School of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, China; (3)School of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, China;Multidisciplinary Research Center, Chinese Academy of Sciences, Beijing 100049, China
  • 收稿日期:2008-11-06 修回日期:2008-11-17 出版日期:2009-07-20 发布日期:2009-07-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 102750770).

X-ray absorption near the edge structure and x-ray photoelectron spectroscopy studies on pyrite prepared by thermally sulfurizing iron films

Zhang Hui(张辉)a)b)†, Liu Ying-Shu(刘应书)a), Wang Bao-Yi(王宝义)b), Wei Long(魏龙)b), Kui Re-Xi(奎热西)b), and Qian Hai-Jie(钱海杰)b)   

  1. a School of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, China; b Multidisciplinary Research Center, Chinese Academy of Sciences, Beijing 100049, China
  • Received:2008-11-06 Revised:2008-11-17 Online:2009-07-20 Published:2009-07-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No 102750770).

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摘要： This paper reports how pyrite films were prepared by thermal sulfurization of magnetron sputtered iron films and characterized by x-ray absorption near edge structure spectra and x-ray photoelectron spectroscopy on a 4B9B beam line at the Beijing Synchrotron Radiation Facility. The band gap of the pyrite agrees well with the optical band gap obtained by a spectrophotometer. The octahedral symmetry of pyrite leads to the splitting of the d orbit into t_{\rm 2g} and e_{\rm g} levels. The high spin and low spin states were analysed through the difference of electron exchange interaction and the orbital crystal field. Only when the crystal field splitting is higher than 1.5 eV, the two weak peaks above the white lines can appear, and this was approved by experiments in the present work.

Abstract: This paper reports how pyrite films were prepared by thermal sulfurization of magnetron sputtered iron films and characterized by x-ray absorption near edge structure spectra and x-ray photoelectron spectroscopy on a 4B9B beam line at the Beijing Synchrotron Radiation Facility. The band gap of the pyrite agrees well with the optical band gap obtained by a spectrophotometer. The octahedral symmetry of pyrite leads to the splitting of the d orbit into $t_{\rm 2g}$ and $e_{\rm g}$ levels. The high spin and low spin states were analysed through the difference of electron exchange interaction and the orbital crystal field. Only when the crystal field splitting is higher than 1.5 eV, the two weak peaks above the white lines can appear, and this was approved by experiments in the present work.

Key words: x-ray absorption near the edge structure spectra, x-ray photoelectron spectroscopy, iron pyrite films, solar cells

中图分类号:  (Adsorbed layers and thin films)

  • 79.60.Dp
81.15.Cd (Deposition by sputtering) 61.05.cj (X-ray absorption spectroscopy: EXAFS, NEXAFS, XANES, etc.) 71.70.Ch (Crystal and ligand fields) 71.20.Nr (Semiconductor compounds) 75.30.Et (Exchange and superexchange interactions)