论文标题
nips $ _3 $的本地电动极化的微观起源
Microscopic origin of local electric polarization in NiPS$_3$
论文作者
论文摘要
最近，在实验中测量了Zhang-rice三重态至单线激发，并在范德华（Van der Waals）抗fiferromagnet nips \ textSubscript {3}中进行了数值验证，该{3}揭示了电子结构的集体局部变化。特别是，这种数值模拟预测这些电子激发与局部电极同时发生。在这项研究中，我们揭示了Zhang-Rice三重性中这种局部电化极化的微观起源。我们的晶格模型计算预测，可以通过施加的磁场来控制电偏振，其中原子自旋 - 轨耦合起着重要作用。我们推测真实空间浆果曲率的出现来描述这种密切相关的系统中的电化极化。
Recently, Zhang-Rice triplet to singlet excitations have been measured experimentally and verified numerically in a van der Waals antiferromagnet NiPS\textsubscript{3}, which reveals a collective local change of an electronic structure. In particular, such numerical simulations predicted that these electronic excitations occur simultaneously with local electric polarizations. In this study, we uncover the microscopic origin of this local electric polarization in the Zhang-Rice triplet to singlet excitation. Our lattice-model calculation predicts that the electric polarization can be controlled by applied magnetic fields, where the atomic spin-orbit coupling plays an important role. We speculate emergence of real space Berry curvature to describe the electric polarization in this strongly correlated system.
