| 验证键应弛豫模型的一个特例 |
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| 引用本文： | 赵玉峰,薛增泉,庞世瑾.验证键应弛豫模型的一个特例[J].北京大学学报(自然科学版),1999,35(1):119-124. |
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| 作者姓名： | 赵玉峰 薛增泉 庞世瑾 |
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| 作者单位： | 北京大学电子学系，北京，100871; 中科院北京真空物理实验室，北京，100080 |
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| 摘 要： | 在绝热近似下利用两种独立的紧束缚模型计算了Si单晶(金刚石结构)沿其自然解理面(111)面解理所需的能量。结果表明，单位1×1面积所需的解理能正好等于晶体中Si原子之间紧束缚键能的一半。这一结果验证了本文作者最近提出的键应弛豫模型。
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| 关 键 词： | 紧束缚 键 结合能 |
| 收稿时间： | 1997-09-22 |
A Special Case for Testing The Bond responsive Relaxation Model |
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| ZHAO Yufeng,XUE Zengquan,PANG Shijin.A Special Case for Testing The Bond responsive Relaxation Model[J].Acta Scientiarum Naturalium Universitatis Pekinensis,1999,35(1):119-124. |
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| Authors: | ZHAO Yufeng XUE Zengquan PANG Shijin |
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| Institution: | Dept.Electronic, Peking University, Beijing, 100871; Beijing Vacuum Physics Laboratory, Beijing, 100080 |
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| Abstract: | The electronic quenching energy arising from the splitting of the diamond Si into two half infinite systems each with an ideal (111) surface is calculated using semiempirical tight binding (SETB) method.In spite of the different sets of band structure parameters in the two independent SETB models employed,they reach the same conclusion which can be considered a test of the recently proposed bond responsive relaxation model by us. |
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| Keywords: | tight-binding bond binding energy |
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