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。
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.
出处
《北京大学学报(自然科学版)》
CAS
CSCD
北大核心
1999年第1期119-124,共6页
Acta Scientiarum Naturalium Universitatis Pekinensis