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 of the hydrogenated amorphous carbon (a-C: H) film was calculated using a completely suppressed network structure (FCN) simulation. The conditions for forming a dense a-C: H film are that H, sp2C and sp3C should be in a triangular region in their ternary phase diagram. Experimental data show that the simulation results agree well with the experimental results. In a-C: H hydrogen, tetrahedral carbon, ethylene, benzene ring and benzene and other biphenyl structure, their relative content in the triangular region changes. This theoretical simulation gives an excellent explanation for the experimental analysis of the optical gap of the film.