论文标题
通过单轴和剪切应变驱动的分层PDSE2的范德华方向转换铁弹性转换
Ferroelastic switching with van der Waals direction transformation in layered PdSe2 driven by uniaxial and shear strain
论文作者
论文摘要
通常实施单轴和双轴应变方法来切换铁弹性状态，这些状态在铁芳烃和形状记忆材料的应用中起关键作用。在这项工作中，通过使用第一原理计算，我们不仅发现单轴应变，而且剪切应变可以诱导新型的铁弹性开关，其中van der waals（VDW）分层方向在分层的散装块PDSE2中旋转，而旋转的铁弹性过渡则旋转。剪切应变可诱导铁弹性转换，幅度小于单轴应变三倍。在剪切应变下，新型的三态铁弹性转换也发生在剪切应变下。我们的结果表明，剪切应变可以用作操纵潜在设备应用中分层材料功能的有效方法。
Uniaxial and biaxial strain approaches are usually implemented to switch the ferroelastic states, which play a key role in the application of the ferroics and shape memory materials. In this work, by using the first-principles calculations, we found not only uniaxial strain, but also shear strain can induce a novel ferroelastic switching, in which the van der Waals (vdW) layered direction rotates with the ferroelastic transition in layered bulk PdSe2. The shear strain induces ferroelastic switching with three times amplitude smaller than uniaxial strain. The novel three-states ferroelastic switching in layered PdSe2 also occurs under shear strain. Our result shows that the shear strain could be used as an effective approach for manipulating the functionalities of layered materials in potential device applications.
