非晶碳氢薄膜完全抑制网络结构研究

RANDOM COVALENT NETWORKS OF AMORPHOUS HYDROCARBON FILMS

利用完全抑制网络结构（ＦＣＮ）对氢化非晶碳（ａ － Ｃ∶Ｈ）膜组成进行模拟计算，得出形成质密ａ－ Ｃ∶Ｈ 膜条件是Ｈ、ＳＰ２ Ｃ和ＳＰ３ Ｃ在其三元相图中应在一个三角形区域内。大量实验数据表明，模拟结果与实验结果相当吻合。在ａ－ Ｃ∶Ｈ 中主要存在氢、四面体碳、乙烯、苯环和双苯等结构，它们相对含量可由公式理论计算得出。

The composition range of hydrogenated amorphous carbon films(a-C∶H)is calculated theoretically in terms of the theories of fully constrainted networks(FCN).The theory predicts that the range of H,SP2C and SP3C for a-C:H is a special triangle in their ternary phase diagram.Plenty of data announces that the theoretical result is consistent with experimental one.A further conclusion is achieved that if the fractions of H and SP3C are given in a-C:H films ,the others may be calculated theoretically.