铁电性
材料科学
四方晶系
相变
正交晶系
凝聚态物理
相(物质)
兴奋剂
极化(电化学)
亚稳态
化学物理
电介质
结晶学
晶体结构
光电子学
物理化学
物理
化学
量子力学
作者
Jiangheng Yang,Jiajia Liao,Jin Huang,Fei Yan,Min Liao,Yichun Zhou
标识
DOI:10.1016/j.scriptamat.2023.115953
摘要
Novel ferroelectric HfO2 films have obtained great attention owing to their super advantages in electronic applications. However, the phase transition paths and ferroelectric phase stability in HfO2 still remain elusive, represented by several contradictions in theoretical and experimental results. Based on kinetical calculations on the premise of crystal axis mapping relationship rules, we systematically study the transition paths and illustrate the kinetical process in HfO2 film during the cooling process. We find two paths with the same low energy barriers from tetragonal phase transforming to orthorhombic phase. Their polarization axes are exactly orthogonal, predicting 90° domain formation at the beginning of stage of new nucleus formation. This might explain the existence of high-proportioned 90° domains in HfO2 films. Furthermore, the impact of Zr doping concentration on the stabilization of ferroelectric phase is investigated, revealing the mechanism for 50 % doping concentration as the best condition to induce ferroelectricity in HfO2.
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