铁磷三硫化物-- FePS $_3$的谱学和结构研究
Spectroscopy and structural investigation of iron phosphorus trisulfide -- FePS$_3$
摘要：
过渡金属三硫化磷的层状结构具有很强的层内键合，尽管相邻层由弱的范德华相互作用保持。这些化合物由于其独特的光学和长程磁性组合而受到极大的关注。其中，三硫化铁磷（FePS $_3$）是一种具有近红外吸收边的半导体，并显示出类伊辛反铁磁性，因此受到特别关注。我们报道了一个成功的生长厘米级散装FePS $_3$晶体的化学产率超过70%，其晶体结构和组成仔细确定了先进的电子显微镜方法，包括原子分辨率元素映射，以及光电子能谱学。FePS $_3$的旋光性的知识扩展利用温度依赖性的吸收和光声光谱，而测量与密度泛函理论计算证实。温度相关的实验表明，一个小的和单调的带边能量转移到115 K，并暴露了相互关联的重要性的电子-声子耦合。最重要的是，揭示了光学行为和磁相变之间的相关性，这表明温度相关的光吸收研究磁相互作用的实际应用。
英文摘要：
Lamellar structures of transition metal phosphorus trisulfides possess strong intralayer bonding, albeit adjacent layers are held by weak van der Waals interactions. Those compounds received enormous interest due to their unique combination of optical and long-range magnetic properties. Among them, iron phosphorus trisulfide (FePS$_3$) gathered special attention for being a semiconductor with an absorption edge in the near-infrared, as well as showing an Ising-like anti-ferromagnetism. We report a successful growth of centimeter size bulk FePS$_3$ crystals with a chemical yield above 70%, whose crystallographic structure and composition were carefully identified by advanced electron microscopy methodologies, including atomic resolution elemental mapping, along with photoelectron spectroscopy. The knowledge on the optical activity of FePS$_3$ is extended utilizing temperature-dependent absorption and photoacoustic spectroscopies, while measurements were corroborated with density-functional theory calculations. Temperature-dependent experiments showed a small and monotonic band-edge energy shift down to 115 K and exposed the interconnected importance of electron-phonon coupling. Most of all, the correlation between the optical behavior and the magnetic phase transition is revealed, which shows the practical utilization of temperature-dependent optical absorption to investigate magnetic interactions.
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