中国物理B ›› 2009, Vol. 18 ›› Issue (5): 2041-2047.doi: 10.1088/1674-1056/18/5/052

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Electronic properties of hydrogen- and oxygen-terminateddiamond surfaces exposed to the air

刘峰斌, 汪家道, 陈大融, 颜大运   

  1. State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, China
  • 收稿日期:2008-10-17 修回日期:2008-11-30 出版日期:2009-05-20 发布日期:2009-05-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 50675112), National Basic Research Program of China (Grant No 2007CB707702), and the China Postdoctoral Science Foundation (Grant No 20070410515).

Electronic properties of hydrogen- and oxygen-terminated diamond surfaces exposed to the air

Liu Feng-Bin(刘峰斌)†, Wang Jia-Dao(汪家道), Chen Da-Rong(陈大融), and Yan Da-Yun(颜大运)   

  1. State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, China
  • Received:2008-10-17 Revised:2008-11-30 Online:2009-05-20 Published:2009-05-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No 50675112), National Basic Research Program of China (Grant No 2007CB707702), and the China Postdoctoral Science Foundation (Grant No 20070410515).

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摘要： The electronic properties of hydrogen- and oxygen-terminated diamond surfaces exposed to the air are investigated by scanning probe microscopy (SPM). The results indicate that for the hydrogen-terminated diamond surface a shallow acceptor above the valence-band-maximum (VBM) appears in the band gap. However, the oxygen-terminated diamond film exhibits a high resistivity with a wide band gap. Based on the density-functional-theory, the densities of states, corresponding to molecular adsorbate in hydrogenated and oxygenated diamond (100) surfaces, are studied. The results show that the shallow acceptor in the band gap for the hydrogen-terminated diamond film can be attributed to the interaction between the surface C--H bonding orbitals and the adsorbate molecules, while for the oxygen-terminated diamond film, the interaction between the surface C--O bonding orbitals and the adsorbate molecules can induce occupied states in the valence-band.

关键词: hydrogen-termination, oxygen-termination, electronic properties, diamond film

Abstract: The electronic properties of hydrogen- and oxygen-terminated diamond surfaces exposed to the air are investigated by scanning probe microscopy (SPM). The results indicate that for the hydrogen-terminated diamond surface a shallow acceptor above the valence-band-maximum (VBM) appears in the band gap. However, the oxygen-terminated diamond film exhibits a high resistivity with a wide band gap. Based on the density-functional-theory, the densities of states, corresponding to molecular adsorbate in hydrogenated and oxygenated diamond (100) surfaces, are studied. The results show that the shallow acceptor in the band gap for the hydrogen-terminated diamond film can be attributed to the interaction between the surface C--H bonding orbitals and the adsorbate molecules, while for the oxygen-terminated diamond film, the interaction between the surface C--O bonding orbitals and the adsorbate molecules can induce occupied states in the valence-band.

Key words: hydrogen-termination, oxygen-termination, electronic properties, diamond film

中图分类号:  (Impurity and defect levels; energy states of adsorbed species)

  • 73.20.Hb
71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 73.61.Ng (Insulators) 68.37.-d (Microscopy of surfaces, interfaces, and thin films)