Density functional studies on wurtzite piezotronic transistors: influence of different semiconductors and metals on piezoelectric charge distribution and Schottky barrier

The mechanical–electrical coupling properties of piezoelectric semiconductors endow these materials with novel device applications in microelectromechanical systems, sensors, human–computer interfaces, etc. When an applied strain is exerted on a piezoelectric semiconductor, piezoelectric charges are generated at the surface or interface of the semiconductor, which can be utilized to control the electronic transport characteristics. This is the fundamental working mechanism of piezotronic devices, called the piezotronic effect. In the present report, a series of piezotronic transistors composed of different electrode metals and semiconductors is examined using density functional theory calculation. It is found that the influence of semiconductors on the piezotronic effect is larger than the impact of metals, and GaN and CdS are promising candidates for piezotronic and piezo-phototronic devices, respectively. The width of the piezoelectric charge distribution obtained in the present study can be used as a parameter in classical finite-element-method based simulations, which provide guidance on designing high-performance piezotronic devices.