Nonlinear Plasmonics in Nanostructured Phosphorene,ACS Nano

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Nonlinear Plasmonics in Nanostructured Phosphorene
ACS Nano ( IF 15.8 ) Pub Date : 2023-10-04 , DOI: 10.1021/acsnano.3c05363
Line Jelver ₁ , Joel D Cox _{1,

2}

Affiliation

Phosphorene has emerged as an atomically thin platform for optoelectronics and nanophotonics due to its excellent optical properties and the possibility of actively tuning light–matter interactions through electrical doping. While phosphorene is a two-dimensional semiconductor, plasmon resonances characterized by pronounced anisotropy and strong optical confinement are anticipated to emerge in highly doped samples. Here we show that the localized plasmons supported by phosphorene nanoribbons (PNRs) exhibit high tunability in relation to both edge termination and doping charge polarity and can trigger an intense nonlinear optical response at moderate doping levels. Our explorations are based on a second-principles theoretical framework, employing maximally localized Wannier functions constructed from ab initio electronic structure calculations, which we introduce here to describe the linear and nonlinear optical response of PNRs on mesoscopic length scales. Atomistic simulations reveal the high tunability of plasmons in doped PNRs at near-infrared frequencies, which can facilitate the synergy between the electronic band structure and plasmonic field confinement to drive efficient high-harmonic generation. Our findings establish nanostructured phosphorene as a versatile atomically thin material candidate for nonlinear plasmonics.

中文翻译：

纳米结构磷烯中的非线性等离子体

由于其优异的光学特性以及通过电掺杂主动调节光与物质相互作用的可能性，磷烯已成为光电子学和纳米光子学的原子薄平台。虽然磷烯是一种二维半导体，但预计在高掺杂样品中会出现以明显的各向异性和强光学限制为特征的等离子体共振。在这里，我们表明，由磷烯纳米带（PNR）支持的局域等离子体激元在边缘终止和掺杂电荷极性方面表现出高度可调性，并且可以在中等掺杂水平下触发强烈的非线性光学响应。我们的探索基于第二原理理论框架，采用从头开始电子结构计算构建的最大局域 Wannier 函数，我们在此引入该函数来描述 PNR 在介观长度尺度上的线性和非线性光学响应。原子模拟揭示了掺杂 PNR 中等离子体激元在近红外频率下的高度可调性，这可以促进电子能带结构和等离子体场限制之间的协同作用，从而驱动高效的高次谐波产生。我们的研究结果表明，纳米结构磷烯是一种用于非线性等离子体激元的多功能原子薄材料候选材料。

更新日期：2023-10-04

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