We discovered that many of the commonly studied two-dimensional monolayer transition metal dichalcogenide (TMDC) nanoscale materials are piezoelectric, unlike their bulk parent crystals. On the macroscopic scale, piezoelectricity is widely used to achieve robust electromechanical coupling in a rich variety of sensors and actuators. Remarkably, our density-functional theory calculations of the piezoelectric coefficients of monolayer BN, MoS
2, MoSe
2, MoTe
2, WS
2, WSe
2, and WTe
2 reveal that some of these materials exhibit
stronger piezoelectric coupling than traditionally employed bulk wurtzite structures. We find that the piezoelectric coefficients span more than 1 order of magnitude, and exhibit monotonic periodic trends. The discovery of this property in many two-dimensional materials enables active sensing, actuating, and new electronic components for
nanoscale devices based on the familiar piezoelectric effect.
Keywords:
boron nitride; transition metal dichalcogenides (TMDCs); nanoelectromechanical systems (NEMS); elastic coefficients; piezoelectric coefficients; atomically thin materials; piezotronics