Electronic States of Si(001)Stepped Surface
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概要
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Electronic states of steps on the Si(001) surface are calculated by the DV-Xcvmethod. The calculated steps are the unreconstructed S., reconstructed S5,unreconstructed S., buckled S., and dimer-chain S. steps. The dangling bonds nearthe steps interact with each other. The dangling-bond levels appear in the middle ofthe band gap. The charge distribution of dangling-bond levels of the dimer on the up-per terrace of the unreconstructed S. step is slightly asymmetric, although the dimer issymmetric. The charge distribution of the buckled S. step where the dimer is tilted by10 degrees is buckled, but its shape does not reproduce the STM image. A new modelof the S. step is proposed. The atomic structure of step edge of the higher terrace is azig-zag chain of dimers. The charge distribution of the dimer-chain S. step wellreproduces the large buckling of the STM image.
- 社団法人日本物理学会の論文
- 1991-03-15
著者
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Yamaguchi Tsuyoshi
Faculty Of Engineering Shizuoka University
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Fujima Nobuhisa
Faculty Of Engineering Shizuoka University
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