Characterization of Elastic Modulus Across the (Al 1–x Sc x )N System Using DFT and Substrate-Effect-Corrected Nanoindentation
Characterization of Elastic Modulus Across the (Al 1–x Sc x )N System Using DFT and Substrate-Effect-Corrected Nanoindentation
复制标题
使用 DFT 和基材效应校正纳米压痕表征 (Al 1–x Sc x )N 系统的弹性模量
DOI：
10.1109/tuffc.2018.2862240
复制
发表时间：
2018
期刊：
影响因子：
--
通讯作者：
Packard, Corinne E.
中科院分区：
文献类型：
--
作者：
Wu, Dong;Chen, Yachao;Manna, Sukriti;Talley, Kevin;Zakutayev, Andriy;Brennecka, Geoff L.;Ciobanu, Cristian V.;Constantine, Paul;Packard, Corinne E.
（Al 1-xScx）N的弹性模量的精确值的知识是需要的压电谐振器和相关设备的设计。薄膜的（Al 1-xScx）N在整个组合物空间的沉积和表征。模量测量的准确性提高和量化消除基板效应的影响，并通过直接比较的实验结果与密度泛函理论计算。5%-30%Sc的组成范围是特别感兴趣的压电应用，并在这里覆盖在更高的组成分辨率比以前的工作。减少的弹性模量被发现减少多达40%，增加Sc浓度在纤锌矿相根据实验和计算技术，而Sc丰富的岩盐结构的膜表现出很小的变化，模量与组合物。
Knowledge of accurate values of elastic modulus of (Al1-xScx)N is required for design of piezoelectric resonators and related devices. Thin films of (Al1-xScx)N across the entire composition space are deposited and characterized. Accuracy of modulus measurements is improved and quantified by removing the influence of substrate effects and by direct comparison of experimental results with density functional theory calculations. The 5%-30% Sc compositional range is of particular interest for piezoelectric applications and is covered at higher compositional resolution here than in previous work. The reduced elastic modulus is found to decrease by as much as 40% with increasing Sc concentration in the wurtzite phase according to both experimental and computational techniques, whereas Sc-rich rocksalt-structured films exhibit little variation in modulus with composition.