【摘要】 用非平衡热力学耦合模型计算了ＣＶＤ金刚石薄膜生长过程中Ｃ１Ｈ２与ＣＨ３浓度之比［Ｃ２Ｈ２］／［ＣＨ３］随衬底温度和ＣＨ４浓度的变化关系，从理论上探讨了金刚石薄膜（１１１）面和（１００）面取向生长与淀积条件的关系。在衬底温度和 ＣＨ４浓度由低到高的变化过程中，［Ｃ２Ｈ２］／［ＣＨ３］逐渐升高，导致金刚石薄膜的形貌从（１１１）晶面转为（１００）晶面。添加氧后Ｃ２Ｈ２与ＣＨ３浓度都将下降，但Ｃ２Ｈ２下降得更多，因而添加氧也使［Ｃ２Ｈ２］／［Ｃ２Ｈ３］下降，从而有利于生长（１１１）晶面的金刚石薄膜。更多还原

【Abstract】 CH3 and C2H2 are the dominant growth precursors during chemical vapor deposition diamond process. The ratio of C2H2 to CH3 concentration ([C2H2]/[CH3]) will affect the growth orientation of diamond film. In this paper [C2H2]/[CH3] as a function of substrate temperature is calculated under 4kPa pressure according to a non-equilibrium thermodynamic coupling model reported previously. Diamond (111) and (100) facets growth is discussed with the ratio of C2H2 to CH3 concentration under various substrate temperatures and CH4 concentrations. With the increase of substrate temperature or CH4 concentration, [C2H2 ]/[CH3] will rises. So the growth rate of diamond (111) facets controlled by C2H2 concentration is higher than that of diamond (100) facets controlled by CH3, and thus (100) facets appear. When oxygen is added to the gas phase for CVD diamond,[C2H2 ]/[CH3]will reduce, thus the growth of diamond film with (111) facets will be benefited. These results are well consistent with many experiments reported by other researchers.更多还原