Ferroelectric-HfO2/oxide interfaces, oxygen distribution effects, and implications for device performance

Abstract

Atomic-scale understanding of HfO2 ferroelectricity is important to help address many challenges in developing reliable and high-performance ferroelectric HfO2 (fe-HfO2) based devices. Though investigated from different angles, a factor that is real device-relevant and clearly deserves more attention has largely been overlooked by previous research, namely, the fe-HfO2/dielectric interface. Here, we investigate the electronic structures of several typical interfaces formed between ultrathin fe-HfO2 and oxide dielectrics in the sub-3-nm region. We find that interface formation introduces strong depolarizing fields in fe-HfO2, which is detrimental for ferroelectric polarization but can be a merit if tamed for tunneling devices, as recently demonstrated. Asymmetric oxygen distribution-induced polarity, intertwined with ferroelectric polarization or not, is also investigated as a relevant interfacial effect in the real device. Though considered detrimental from certain aspects, such as inducing build-in field (independent of ferroelectric polarization) and exacerbating depolarization (intertwined with ferroelectric polarization), it can be partly balanced out by other effects, such as annealing (extrinsic) and polarity-induced defect formation (intrinsic). This work provides insights into ferroelectric-HfO2/dielectric interfaces and some useful implications for the development of devices.