论文标题
铁电开关和域二氧化碳壁的对称性
Symmetry of ferroelectric switching and domain walls in hafnium dioxide
论文作者
论文摘要
二氧化二氧化碳(HFO2)是一种有前途的铁电(FE)材料,可通过与主流积分电路技术的兼容性以及通过减小的厚度降低的主流积分电路技术的兼容,并且与主流积分电路技术的兼容以及令人惊讶的增强的铁电性,这是一种实现高密度非挥发性记忆和神经形态计算的材料。 FE开关动力学对于设备性能至关重要,但是HFO2原子结构的复杂性会导致各种Fe开关路径和域墙配置未知。在这里,我们证明可以从拓扑对称性的角度全面地找到和理解其低障碍路径和域壁。通过讨论具有第一原理和晶格模式在晶体中的伪手关和等效转化关系,我们对HFO2中的4个低屏障FE开关路径进行分类和分析。基于12种180°侧域壁的迁移率研究发现各向异性开关机制。预计该方法通常适用于具有较低晶胞点组对称性的替代性铁电体,并为开关动力学的机理研究奠定了基础。
Hafnium dioxide (HfO2) is a promising ferroelectric (FE) material for achieving high-density nonvolatile memory and neuromorphic computing, due to its compatibility with the mainstream integrated circuit technology and the surprisingly enhanced ferroelectricity by reduced thickness. The FE switching dynamics is essential to the device performance, but the complexity of HfO2 atomic structure causes unknown of various FE switching paths and domain wall configurations. Here, we demonstrate that its low-barrier paths and domain walls can be comprehensively found and understood from a perspective of topological symmetry. By discussing pseudo-chirality and equivalent transformation relations in crystal with first principles and lattice modes, we classify and analyze 4 low-barrier FE switching paths and 93 irreducible topology domain wall configurations in HfO2. Anisotropic switching mechanism is found based on the mobility investigation for 12 types of 180° side domain walls. This methodology is expected to be generally applicable to displacive ferroelectrics with low unit cell point group symmetries, and lay a foundation for mechanism study of the switching dynamics.