气相沉积bcc薄膜时的织构与价电子结构的关系Relationship between the texture and the valence electron structure of bcc thin films vapor deposited on polycrystal or amorphous substrate
李志林,李志峰,黄钦
摘要(Abstract):
应用固体与分子经验电子理论计算了不同bcc金属中团簇的共价电子对总数,结合团簇键能与气相沉积过程中的形核率的关系,认为在非晶或多晶基底上气相沉积bcc金属薄膜时,在较低温度不出现织构;在适当的温度下最可能出现(110)平行基底的织构,(112)、(100)的织构也可能出现,但不会出现(111)织构;温度升高将使不同取向的织构先后消失。推测与现有实验事实符合较好。这一理论和方法还可以继续扩展到hcp金属和化合物等其它薄膜的织构研究。
关键词(KeyWords): bcc金属;气相沉积;织构;电子理论
基金项目(Foundation): 教育部科技基金重点项目(02018);; 北京市自然科学基金项目(2072014)
作者(Author): 李志林,李志峰,黄钦
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