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The bulk piezoelectric response, as measured by the piezoelectric modulus tensor (textbf{d}), is determined by a combination of charge redistribution due to strain and the amount of strain produced by the application of stress (stiffness). Motivated by the notion that less stiff materials could exhibit large piezoelectric responses, herein we investigate the piezoelectric modulus of van der Waals-bonded quasi-2D ionic compounds using first-principles calculations. From a pool of 869 known binary and ternary quasi-2D materials, we have identified 135 non-centrosymmetric crystals of which 48 systems are found to have textbf{d} components larger than the longitudinal piezoelectric modulus of AlN (a common piezoelectric for resonators), and three systems with the response greater than that of PbTiO$_3$, which is among the materials with largest known piezoelectric modulus. None of the identified materials have previously been considered for piezoelectric applications. Furthermore, we find that large textbf{d} components always couple to the deformations (shearing or axial) of van der Waals gaps between the layers and are indeed enabled by the weak intra-layer interactions.
The recent discovery of magnetism within the family of exfoliatable van der Waals (vdW) compounds has attracted considerable interest in these materials for both fundamental research and technological applications. However current vdW magnets are lim
The discovery of new families of exfoliatable 2D crystals that have diverse sets of electronic, optical, and spin-orbit coupling properties, enables the realization of unique physical phenomena in these few-atom thick building blocks and in proximity
Magnetic van der Waals (vdW) materials have been heavily pursued for fundamental physics as well as for device design. Despite the rapid advances, so far magnetic vdW materials are mainly insulating or semiconducting, and none of them possesses a hig
The nonlocal van der Waals (NL-vdW) functionals [Dion et al., Phys. Rev. Lett. 92, 246401 (2004)] are being applied more and more frequently in solid-state physics, since they have shown to be much more reliable than the traditional semilocal functio
The crystallographic and magnetic properties of the cleavable 4d3 transition metal compound a-MoCl3 are reported, with a focus on the behavior above room temperature. Crystals were grown by chemical vapor transport and characterized using temperature