Neumayer Sabine M, Brehm John A, Tao Lei, O'Hara Andrew, Ganesh Panchapakesan, Jesse Stephen, Susner Michael A, McGuire Michael A, Pantelides Sokrates T, Maksymovych Petro, Balke Nina
Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, 37831 Tennessee, United States.
Department of Physics and Astronomy, Vanderbilt University, Nashville, 37235 Tennessee, United States.
ACS Appl Mater Interfaces. 2020 Aug 26;12(34):38546-38553. doi: 10.1021/acsami.0c09246. Epub 2020 Aug 13.
CuInPS (CIPS) is a van der Waals material that has attracted attention because of its unusual properties. Recently, a combination of density functional theory (DFT) calculations and piezoresponse force microscopy (PFM) showed that CIPS is a uniaxial quadruple-well ferrielectric featuring two polar phases and a total of four polarization states that can be controlled by external strain. Here, we combine DFT and PFM to investigate the stress-dependent piezoelectric properties of CIPS, which have so far remained unexplored. The two different polarization phases are predicted to differ in their mechanical properties and the stress sensitivity of their piezoelectric constants. This knowledge is applied to the interpretation of ferroelectric domain images, which enables investigation of local strain and stress distributions. The interplay of theory and experiment produces polarization maps and layer spacings which we compare to macroscopic X-ray measurements. We found that the sample contains only the low-polarization phase and that domains of one polarization orientation are strained, whereas domains of the opposite polarization direction are fully relaxed. The described nanoscale imaging methodology is applicable to any material for which the relationship between electromechanical and mechanical characteristics is known, providing insight on structural, mechanical, and electromechanical properties down to ∼10 nm length scales.
铜铟磷硫(CIPS)是一种范德华材料,因其独特的性质而备受关注。最近,密度泛函理论(DFT)计算和压电力显微镜(PFM)相结合的研究表明,CIPS是一种单轴四阱铁电体,具有两个极性相和总共四种可由外部应变控制的极化状态。在此,我们结合DFT和PFM来研究CIPS的应力相关压电特性,而这一特性迄今为止尚未得到探索。预计这两种不同的极化相在其力学性能和压电常数的应力敏感性方面存在差异。这一知识被应用于铁电畴图像的解释,从而能够研究局部应变和应力分布。理论与实验的相互作用产生了极化图和层间距,我们将其与宏观X射线测量结果进行了比较。我们发现该样品仅包含低极化相,且一个极化取向的畴处于应变状态,而相反极化方向的畴则完全松弛。所描述的纳米级成像方法适用于任何已知机电特性与机械特性之间关系的材料,能够洞察低至约10纳米长度尺度的结构、力学和机电性能。