中国物理B ›› 2001, Vol. 10 ›› Issue (1): 52-57.doi: 10.1088/1009-1963/10/1/312

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ELECTRONIC STRUCTURE OF BISMUTH MOLYBDENUM OXIDE SINGLE CRYSTAL Bi0.19MoO3

熊锐, 石兢, 汤五丰, 田德诚   

  1. Department of Physics, Wuhan University, Wuhan 430072, China
  • 收稿日期:2000-07-02 出版日期:2001-01-15 发布日期:2005-06-12
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 59872023).

ELECTRONIC STRUCTURE OF BISMUTH MOLYBDENUM OXIDE SINGLE CRYSTAL Bi0.19MoO3

Xiong Rui (熊锐), Shi Jing (石兢), Tang Wu-feng (汤五丰), Tian De-cheng (田德诚)   

  1. Department of Physics, Wuhan University, Wuhan 430072, China
  • Received:2000-07-02 Online:2001-01-15 Published:2005-06-12
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 59872023).

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摘要： Single crystal Bi0.19MoO3 has been grown by fused salt electrolytic technique. X-ray powder diffraction shows that the unit cell parameters are: a=1.9985nm, b=0.4085nm and c=1.4437nm. The temperature dependence of resistivity demonstrates a semiconductor characteristic. X-ray photoemission spectroscopy studies provide that the valence band of Bi0.19MoO3 are made up of oxygen pπ and the π*, π and σ bonding bands formed by orbital combination. The shoulder at 0.4 eV near the top of valence band may be formed from the non-bonding dxy orbitals of some Mo atoms. The O1s core-electron spectrum reveals the presence of two inequivalent bonds of oxygen ions in Bi0.19MoO3. Bi4f core-level spectrum shows two bonding characters of Bi atoms in bismuth molybdenum oxide single crystals. Mo3d core-level spectrum could be decomposed into two kinds of valence states of molybdenum(Mo+5 and Mo+6).

Abstract: Single crystal Bi0.19MoO3 has been grown by fused salt electrolytic technique. X-ray powder diffraction shows that the unit cell parameters are: a=1.9985nm, b=0.4085nm and c=1.4437nm. The temperature dependence of resistivity demonstrates a semiconductor characteristic. X-ray photoemission spectroscopy studies provide that the valence band of Bi0.19MoO3 are made up of oxygen p$\pi$ and the $\pi$*, $\pi$ and $\sigma$ bonding bands formed by orbital combination. The shoulder at 0.4 eV near the top of valence band may be formed from the non-bonding dxy orbitals of some Mo atoms. The O1s core-electron spectrum reveals the presence of two inequivalent bonds of oxygen ions in Bi0.19MoO3. Bi4f core-level spectrum shows two bonding characters of Bi atoms in bismuth molybdenum oxide single crystals. Mo3d core-level spectrum could be decomposed into two kinds of valence states of molybdenum(Mo+5 and Mo+6).

Key words: bismuth molybdenum oxide single crystal, X-ray photoemission spectroscopy, electronic structure, core-level structure

中图分类号:  (Semiconductor compounds)

  • 71.20.Nr
61.05.cp (X-ray diffraction) 61.50.Lt (Crystal binding; cohesive energy) 72.80.Jc (Other crystalline inorganic semiconductors) 78.70.En (X-ray emission spectra and fluorescence) 79.60.-i (Photoemission and photoelectron spectra)