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从原子结合能和位错生成能入手,分别计算了在Co基底上沉积Cu薄膜和在Cu基底上沉积Co薄膜时,薄膜结构随沉积厚度增加所发生的变化.结果表明,在{100}纤维织构的Co基底上沉积Cu薄膜,当薄膜厚度达到3.33 nm时会在薄膜与基底界面产生错配位错,且随薄膜厚度增加,错配位错密度逐渐增大.在{100}纤维织构Cu基底上沉积Co薄膜,当薄膜厚度达到4.90 nm时,薄膜生长模式会由层状向岛状转变,薄膜为fcc结构.当厚度超过12.64 nm后会出现hcp结构.计算结果与实验得出的结论基本相符.
Starting from atomic energy of binding and dislocation generation, the changes of the film structure with the increase of the deposition thickness were calculated when the Cu film was deposited on the Co substrate and the Co film was deposited on the Cu substrate respectively. The results showed that in the {100} fiber When the film thickness reaches 3.33 nm, a misfit dislocation occurs at the interface between the film and the substrate, and as the thickness of the film increases, the misfit dislocation density gradually increases. In the {100} fiber When the film thickness reaches 4.90 nm, the film growth mode will change from layer to island, and the film has fcc structure. When the thickness exceeds 12.64 nm, the hcp structure will appear. The calculation results and experiments The conclusion is basically consistent.