Juraschek Dominik M, Narang Prineha
Harvard John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, United States.
Nano Lett. 2021 Jun 23;21(12):5098-5104. doi: 10.1021/acs.nanolett.1c01002. Epub 2021 Jun 8.
Two-dimensional (2D) materials are able to strongly confine light hybridized with collective excitations of atoms, enabling electric-field enhancements and novel spectroscopic applications. Recently, freestanding monolayers of perovskite oxides have been synthesized, which possess highly infrared-active phonon modes and a complex interplay of competing interactions. Here, we show that this new class of 2D materials exhibits highly confined phonon polaritons by evaluating central figures of merit for phonon polaritons in the tetragonal phases of the 2D perovskites SrTiO, KTaO, and LiNbO, using density functional theory calculations. Specifically, we compute the 2D phonon-polariton dispersions, the propagation-quality, confinement, and deceleration factors, and we show that they are comparable to those found in the prototypical 2D dielectric hexagonal boron nitride. Our results suggest that monolayers of perovskite oxides are promising candidates for polaritonic platforms that enable new possibilities in terms of tunability and spectral ranges.
二维(2D)材料能够强烈限制与原子集体激发杂化的光,从而实现电场增强和新颖的光谱应用。最近,已经合成了独立的钙钛矿氧化物单层,其具有高度红外活性的声子模式以及相互竞争相互作用的复杂相互影响。在这里,我们通过使用密度泛函理论计算,评估二维钙钛矿SrTiO、KTaO和LiNbO四方相中的声子极化激元的核心品质因数,表明这类新型二维材料展现出高度受限的声子极化激元。具体而言,我们计算了二维声子极化激元色散、传播品质、限制和减速因子,并表明它们与典型的二维介电六方氮化硼中的相当。我们的结果表明,钙钛矿氧化物单层是极化激元平台的有前途的候选者,在可调谐性和光谱范围方面带来了新的可能性。