Effect of lanthanide dopants on stability of orthorhombic hafnium oxide for pyroelectric applications

Abstract

CMOS compatible pyroelectric materials are suitable for their on-chip integration and miniaturization of infrared (IR) detectors. Here the stability enhancement of CMOS compatible hafnium oxide (HfO2) has been investigated by doping of lanthanide elements. For energy computation of undoped and doped orthorhombic phase of HfO2, first principles calculation was performed by employing the density functional theory (DFT). The cerium (Ce) and samarium (Sm) doping demonstrates lower formation energies than that of other lanthanide elements and silicon (Si). Hence these elements are reported as potential dopants to synthesize stable phase of HfO2 for CMOS compatible pyroelectric applications.