论文标题
二维PTSE2中激动品依赖性振荡器强度跨界
Momentum-dependent oscillator strength crossover of excitons and plasmons in two-dimensional PtSe2
论文作者
论文摘要
1T期分层的PTX2硫化剂由于其厚度依赖性的金属 - 轴导剂过渡而引起了广泛的兴趣,这是由强层间偶联驱动的。尽管已经广泛探索了该范式材料系统的基态性能,但其基本激发光谱仍然很少了解。在这里,我们将第一原理计算与动量(Q)解析的电子能量损耗光谱(Q-EELS)相结合,以研究从单层极限到批量的1T-PTSE2中的集体激发。在有限动量转移时,所有光谱都由两个不同的频带间等离子体主导,它们随着Q的增加而分散到更高的能量。有趣的是,在二维(2D)极限中没有远程筛选,抑制了长波长等离子体的形成。因此,在小Q极限中,单层PTSE2中的激发仅具有激子性质,而损耗光谱与光谱相吻合。我们的工作揭开了分层1T-PTSE2的激发状态光谱,并在2D材料中建立了激发型和等离子体的质量不同的动量依赖性。
The 1T-phase layered PtX2 chalcogenides has attracted widespread interest due to its thickness dependent metal-semiconductor transition driven by strong interlayer coupling. While the ground state properties of this paradigmatic material system have been widely explored, its fundamental excitation spectrum remains poorly understood. Here we combine first principles calculations with momentum (q) resolved electron energy loss spectroscopy (q-EELS) to study the collective excitations in 1T-PtSe2 from the monolayer limit to the bulk. At finite momentum transfer all the spectra are dominated by two distinct interband plasmons that disperse to higher energy with increasing q. Interestingly, the absence of long-range screening in the two-dimensional (2D) limit, inhibits the formation of long wavelength plasmons. Consequently, in the small-q limit, excitations in monolayer PtSe2 are exclusively of excitonic nature, and the loss spectrum coincides with the optical spectrum. Our work unravels the excited state spectrum of layered 1T-PtSe2 and establishes the qualitatively different momentum dependence of excitons and plasmons in 2D materials.