相场模拟法研究缺陷簇在铁电薄膜神经形态系统中的作用

Unveiling the role of defect clusters in neuromorphic systems for ferroelectric thin films: a phase-field study

  • 摘要: 铁电薄膜是神经形态人工突触的重要候选材料,但电场循环会诱导缺陷簇的形成并引发电致疲劳。本文采用相场模拟方法研究缺陷簇对钛酸钡性能的影响。通过三维Voronoi镶嵌技术,将随机区域转化为带电顺电相以表征缺陷簇,从而准确再现疲劳行为。基于非均匀场机制,系统分析了统计极化翻转动力学及其对器件性能的影响。结果表明,缺陷簇能够降低翻转能垒,延长畴壁去钉扎时间。进一步评估尖峰时序依赖性可塑性(spike-timing-dependent plasticity, STDP)与长时程增强/抑制(long-term potentiation/depression, LTP/LTD)特性发现,当缺陷簇占比为10%时,短延时下突触响应显著增强,而长延时相关性减弱;中等比例的缺陷簇可实现渐进式但不对称、非线性的权重更新。向量矩阵乘法测试表明,含10%缺陷簇的钛酸钡薄膜可获得最高推理准确率(94.84%)。本研究为面向神经形态计算的铁电薄膜优化设计提供了实用指导。

     

    Abstract: Ferroelectric thin films represent promising candidates for artificial synapses in neuromorphic computing. However, electric-field cycling can induce the formation of defect clusters, resulting in electrical fatigue. In this study, phase-field simulations were employed to investigate the influence of defect clusters on ferroelectric BaTiO3. Using 3D Voronoi tessellation, randomly selected regions were transformed into a charged paraelectric phase to simulate defect-cluster formation, enabling an accurate reproduction of fatigue behavior. An inhomogeneous-field framework was utilized to analyze statistical polarization-switching dynamics, which directly impacts the performance of neuromorphic devices. Defect clusters were found to reduce the switching energy barrier and extend the domain-wall depinning time. Spike-timing-dependent plasticity (STDP) and long-term potentiation/depression (LTP/LTD) were evaluated. A robust synaptic response was observed at short delay times, whereas longer delays weakened the correlation when 10% defect clusters were present. Moderate fractions of defect clusters allow for gradual yet asymmetric and nonlinear weight updates. Vector-matrix multiplication tests demonstrated that BaTiO3 films with 10% defect clusters achieve the highest inference accuracy (94.84%). This study provides practical guidance for optimizing ferroelectric thin films for neuromorphic computing applications.

     

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