Unveiling pyroelectricity in ferroelectric planar capacitors with area-selective wet etched hafnium zirconium oxide: from ab initio and multiphysics simulations to experiments

In this work, a systematic approach aimed at investigating and validating a novel way of realizing pyroelectric harvesting is presented. Generating a direct-current (dc) signal through a temperature gradient within a less than 7 nm-thick ferroelectric zirconium-doped hafnium oxide (HZO) nano-film, embedded in planar interdigitated capacitors on high-resistivity silicon, is a new, simple, effective, and reproducible solution. Temperature-related structural modifications in HZO are first simulated using advanced ab initio calculations. Then, rigorous multiphysics simulations of the final devices provide insight into the expected performance of the pyroelectric harvester, as a function of temperature, contact area, and crystal orientation, showing a maximum open-circuit voltage of up to 900 mV. The fabrication of the harvesters involves the area-selective wet etching of the HZO layer to retain it exclusively in between the fingers of each capacitor. This choice maximizes the pyroelectric effect (which strongly depends on the area) and represents a new paradigm in the development of HZO-based electronics, which are conventionally built on ferroelectric continuous films. Experimental validation at both low frequencies and microwaves confirms the pyroelectric effect, exhibiting a significant increase in the output current for higher temperature gradients, and a generated dc voltage of several hundred millivolts.