Modeling evaporation, ion-beam assist, and magnetron sputtering of TiO2 thin films over realistic timescales
Modeling evaporation, ion-beam assist, and magnetron sputtering of TiO2 thin films over realistic timescales
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DOI：
10.1557/jmr.2011.380
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发表时间：
2012-03-01
影响因子：
2.7
通讯作者：
Walls, John M.
中科院分区：
文献类型：
--
作者：
Blackwell, Sabrina;Smith, Roger;Walls, John M.
模拟了TiO2在金红石（110）表面的生长。我们说明了如何长时间尺度动力学技术可以用来模拟薄膜生长在现实的增长率。沉积事件之间的系统演化是通过动态蒙特卡罗方法实现的，该方法在没有过渡的先验知识的情况下找到扩散路径和障碍。我们研究各种实验参数，如衬底偏压，等离子体密度，和化学计量的沉积物种的影响。通过三种沉积方法的TiO 2的生长进行了研究：蒸发（热和电子束），离子束辅助，和反应磁控溅射。我们的结论是，蒸发过程中产生的空隙填充，不完整的结构，即使与低能量的离子束辅助，但溅射过程中产生的晶体生长。沉积方法的能量对薄膜质量起着重要作用。
Results are presented for modeling the growth of TiO2 on the rutile (110) surface. We illustrate how long time scale dynamics techniques can be used to model thin film growth at realistic growth rates. The system evolution between deposition events is achieved through an on-the-fly Kinetic Monte Carlo method, which finds diffusion pathways and barriers without prior knowledge of transitions. We examine effects of various experimental parameters, such as substrate bias, plasma density, and stoichiometry of the deposited species. Growth of TiO2 via three deposition methods has been investigated: evaporation (thermal and electron beam), ion-beam assist, and reactive magnetron sputtering. We conclude that the evaporation process produces a void filled, incomplete structure even with the low-energy ion-beam assist, but that the sputtering process produces crystalline growth. The energy of the deposition method plays an important role in the film quality.