It is well known that when a stepped structure exists on the surface, it is possible to cause dangling or extra strain to occur, and thus generally is not as stable as a plane, which is true for the Si(001) surface. However, for diamond, although it has the same crystal structure as silicon, the step structure of its (001) surface is quite different from that of silicon. Recently, Yang Hongxin, Xu Lifang, Fang Zhong, and Gu Changzhi, researchers from the Institute of Physics of the Chinese Academy of Sciences, and Professor Zhang Shengbai from the Rensselaer Polytechnic Institute in the United States have studied the clean diamond (001) surface in depth using the first principle. The step structure, by calculating the step forming energy, found that the step structure is more stable than the plane of the 2×1 structure. The results were published in the latest issue of Physical Review Letters (Phys. Rev. Lett. 100 (2008) 026101) on January 14, 2008.
One of the most ubiquitous phenomena on semiconductor surfaces is the occurrence of lattice reorganization, which results in surfaces having various physical properties different from those in the body. It is precisely because of the importance of surface reconstitution in basic and applied research that people have done a lot of work for decades. Whether a simple theory can be proposed to give certain rules when studying some typical semiconductor surface re-structuring is a long-term goal.
Based on this, they proposed a Bond-Counting Rule for the carbon element and applied it to the reconstruction of the diamond (001) step surface, which is consistent with the calculation results. A more in-depth analysis found that the stable σ bond caused by the stable step structure is less than the planar 2×1 reconstruction, which leads to its more stability. This new work discovered the nature of the stepping of the diamond (001) surface. The calculation results are completely consistent with the experimental results of other STM observations in foreign countries. It points out that the stepping of the diamond surface is fundamentally different from the stepping of the silicon surface. The nature of the diamond surface step lays the foundation for the fabrication of various high reliability devices using the diamond surface. The above research work was supported by the Chinese Academy of Sciences, the National Natural Science Foundation and the Ministry of Science and Technology.
One of the most ubiquitous phenomena on semiconductor surfaces is the occurrence of lattice reorganization, which results in surfaces having various physical properties different from those in the body. It is precisely because of the importance of surface reconstitution in basic and applied research that people have done a lot of work for decades. Whether a simple theory can be proposed to give certain rules when studying some typical semiconductor surface re-structuring is a long-term goal.
Based on this, they proposed a Bond-Counting Rule for the carbon element and applied it to the reconstruction of the diamond (001) step surface, which is consistent with the calculation results. A more in-depth analysis found that the stable σ bond caused by the stable step structure is less than the planar 2×1 reconstruction, which leads to its more stability. This new work discovered the nature of the stepping of the diamond (001) surface. The calculation results are completely consistent with the experimental results of other STM observations in foreign countries. It points out that the stepping of the diamond surface is fundamentally different from the stepping of the silicon surface. The nature of the diamond surface step lays the foundation for the fabrication of various high reliability devices using the diamond surface. The above research work was supported by the Chinese Academy of Sciences, the National Natural Science Foundation and the Ministry of Science and Technology.
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