非晶碳氢薄膜完全抑制网络结构研究

RANDOM COVALENT NETWORKS OF AMORPHOUS HYDROCARBON FILMS

  • 摘要: 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。

     

    Abstract: 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.

     

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