致密非晶碳氢薄膜的结构

STRUCTURES OF DENSE a-C:H FILMS

利用完全抑制网络结构（ＦＣＮ）模拟计算氢化非晶碳（ａ－Ｃ：Ｈ）膜的组成．形成致密 ａ－Ｃ：Ｈ膜的条件是 Ｈ、ｓｐ２Ｃ和ｓｐ３Ｃ应在其三元相图中的一个三角形区域内．实验数据表明，模拟结果与实验结果吻合得很好．在 ａ－Ｃ：Ｈ中存在氢、四面体碳、乙烯、苯环和双苯等结构，它们的相对含量在三角形区域内变化。该理论模拟对薄膜光学间隙的实验分析给出了很好的解释．

The composition range of hydrogenated amorphous carbon films (a--C:H) was calculated in terms of theories of fully constrainted networks (FCN). Theory predicts that the range of H, sp2c and sp3C for a-C:H is a special triangle in the ternary phase diagram. Results demonstrated that theoretical result was consistent with experimental one. a--C:H films mainly consist of H, sp3C, > C=C < and benzene rings and their relative contents vary in the triangle. By analyzing the optical gaps of a--C:H films, the theory will be proven further.