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本文从理论上首次计算了含卤素体系中生长金刚石薄膜的三元相图，研究了碳－氢－氟（C－H－F）体系中金刚石生长区随衬底温度及氟含量的变化趋势．与实验比较，符合较好。计算结果表明C－H－F体系的三元相图中金刚石生长区的位置和变化趋势与碳－氢－氧（C－H－O）体系中的有明显的差别，特别是当气相中氟含量超过氢含量时，金刚石生长区趋于消失。理论计算的相图可用于优化含氟体系生长金刚石的实验条件如碳氢氟的组份和衬底温度等。
In this paper, the ternary phase diagram of growth diamond films in halogen-containing systems was calculated for the first time in theory. The variation of diamond growth region with substrate temperature and fluorine content in C-H-F system was studied. Compared with the experiment, in line with the better. The calculated results show that there is a clear difference between the position and the change tendency of the diamond growth region in the ternary phase diagram of C-H-F system and the carbon-hydrogen-oxygen (C-H-O) system, When the content exceeds the hydrogen content, the diamond growth area tends to disappear. The phase diagram of the theoretical calculation can be used to optimize the experimental conditions for the growth of the diamond-containing fluorine-containing system such as the composition of the hydrofluorocarbon and the substrate temperature.