Van der Waals direction transformation induced by shear strain in layered PdSe2

Uniaxial and biaxial strain approaches are usually implemented to switch the ferroelastic states, which play a key role in application of ferroics shape memory materials. In this work, by using first-principles calculations, we found not only uniaxial strain, but also shear can induce novel switching, van der Waals (vdW) layered direction rotates with transition bulk PdSe2. The induces switching three times amplitude smaller than strain. three-states PdSe2 occurs under Our result shows that could be used as an effective approach for manipulating functionalities materials potential device applications.