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采用分子动力学方法模拟了MgO分子连续沉积于MgO(001)表面上的薄膜生长过程,分析了衬底温度和分子入射能对MgO分子在衬底表面上的扩散能力以及对衬底表面覆盖率的影响.模拟结果表明,随着衬底温度的升高,在衬底表面上沉积的MgO分子扩散能力增强,MgO薄膜层中空位缺陷变少.低温下,分子入射能的增大有助于提高衬底表面覆盖率;高温下,表面覆盖率随入射能增大到3.0eV时达到最大值,入射能继续增大,表面覆盖率减小.
The growth process of MgO films deposited on the surface of MgO (001) was simulated by molecular dynamics method. The effects of substrate temperature and molecular incident energy on the diffusion of MgO on the substrate surface and the surface coverage .The simulation results show that with the increase of the substrate temperature, the diffusion ability of MgO on the substrate surface is enhanced and the vacancy defects in the MgO film layer decrease.The increase of incident energy of the molecule at low temperature contributes to At the high temperature, the surface coverage reaches the maximum with the incident energy increasing to 3.0 eV, the incident energy continues to increase, and the surface coverage decreases.