起伏二维材料缺陷发射中的巨大反常 Stark 位移
Colossal anomalous Stark shift in defect emission of undulated 2D materials
AI总结：
研究通过第一性原理计算揭示弯曲 hBN 中挠曲电极化与缺陷偶极矩耦合，在无外电场下产生超过 500 meV 的巨大反常 Stark 位移。
摘要：
我们报告了一个引人注目的新物理现象：起伏二维（2D）材料中的镜像对称性破缺会在缺陷发射中诱发巨大的 Stark 位移，且该过程无需外电场 F，被称为反常 Stark 效应。对弯曲二维 hBN 中多种缺陷进行的第一性原理计算揭示了这一反常效应的基本物理机制，并表明其源于挠曲电极化与缺陷偶极矩之间的强耦合。这种挠曲电–偶极相互作用类似于传统 Stark 效应中由 F 引起的相互作用，在 κ = 1/nm 时使 NBVN 和 CBVN 等缺陷的零声子线（ZPL）位移超过 500 meV，比典型 Stark 位移大 2–3 个数量级。较大的 ZPL 位移随曲率和弯曲方向的变化，为识别纳米管手性以及解释二维材料中单光子发射体波长的巨大差异提供了一种方法，并对纳米机电和光子器件设计具有额外意义。
英文摘要：
We report a strikingly new physical phenomenon that mirror symmetry breaking in undulated two-dimensional (2D) materials induces a colossal Stark shift in defect emissions, occurring without external electric field F, termed anomalous Stark effect. First-principles calculations of multiple defects in bent 2D hBN uncover the fundamental physical reasonings for this anomalous effect and reveal this arises due to strong coupling between flexoelectric polarization and defect dipole moment. This flexo-dipole interaction, similar to that in traditional Stark effect due to F, results in zero-phonon line (ZPL) shifts >500 meV for defects like NBVN and CBVN at $κ$ = 1/nm, exceeding typical Stark shifts by 2-3 orders of magnitude. The large ZPL shifts variations with curvature and bending direction offers a method to identify nanotube chirality and explain the large variability in single photon emitters' wavelength in 2D materials, with additional implications for designing nano-electro-mechanical and photonic devices.
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