Ab Initio Study on Tuning the Ferroelectricity of Orthorhombic HfO2
Journal
2020 International Symposium on VLSI Technology, Systems and Applications, VLSI-TSA 2020
Pages
92-93
Date Issued
2020
Author(s)
Abstract
The origin of the ferroelectricity in HfO2 is considered to be the formation of the non-centrosymmetric polar orthorhombic phase. The double-well energy landscape as a function of the polarization for orthorhombic HfO2 is obtained using density functional computations. Our calculation shows that the orthorhombic HfO2 has the remnant polarization of 66.25 \mathrmC cm -2 and a barrier height of 77.4 meV atom -1 for polarization switching. Two methods (doping with Zr and applying biaxial strain) are theoretically investigated to adjust the ferroelectricity of the orthorhombic HfO2. Moreover, both single- and double-domain HfO2 structures are calculated and discussed in this work. We found the ferroelectricity of HfO2 could be stabilized under tensile strain. ? 2020 IEEE.
Subjects
Calculations; Ferroelectricity; Polarization; Tensile strain; VLSI circuits; Barrier heights; Biaxial strains; Density functional computations; Energy landscape; Non-centrosymmetric; Orthorhombic phase; Polarization switching; Remnant polarizations; Hafnium oxides
Type
conference paper