AI 中文总结
本文通过实验与理论结合的方法，结合密度泛函理论计算与偏振拉曼测量，阐明了Sb$_2$S$_3$的偏振依赖拉曼选择规则，证明偏振拉曼光谱可用于表征相关硫族化合物薄膜的晶体取向与结构有序度。
AI 中文摘要
硫化锑（Sb$_2$S$_3$）是一种由准一维带状结构单元构成的半导体，这使得其块体晶体呈现出显著的结构各向异性。尽管Sb$_2$S$_3$（尤其是Sb$_2$S$_3$薄膜）受到越来越多的关注，但对其基于对称性的晶格动力学的详细认识仍不完整。本文报道了对Sb$_2$S$_3$薄膜偏振依赖拉曼散射的实验与理论结合研究：从晶体对称性推导拉曼选择规则，采用密度泛函理论计算布里渊区中心的声子模式及对应的拉曼张量，将计算得到的偏振依赖关系与对Sb$_2$S$_3$薄膜取向晶畴开展的偏振依赖拉曼测量结果进行系统对比。该联合分析可实现可靠的模式指认，阐明与带状晶体结构相关的各向异性拉曼响应，证明偏振拉曼光谱对硫族锑化合物（Sb$_2$S$_3$、Sb$_2$Se$_3$）及同构Bi$_2$S$_3$薄膜的晶体取向与结构有序度具有敏感性。
英文摘要
Antimony sulfide (Sb$_2$S$_3$) is a semiconductor composed of quasi-one-dimensional ribbon-like structural units, which give rise to pronounced structural anisotropy in the bulk crystal. Despite growing interest in Sb$_2$S$_3$, in particular Sb$_2$S$_3$ thin films, a detailed understanding of its symmetry-based lattice dynamics remains incomplete. Here, we present a combined experimental and theoretical study of polarization-dependent Raman scattering in Sb$_2$S$_3$ thin films. We derive the Raman selection rules from the crystal symmetry and calculate the zone-center phonon modes and corresponding Raman tensors using density functional theory. The calculated polarization dependencies are systematically compared with polarization-dependent Raman measurements performed on oriented crystalline domains of Sb$_2$S$_3$ thin films. This combined analysis enables reliable mode assignments, elucidates the anisotropic Raman response associated with the ribbon-like crystal structure, and demonstrates the sensitivity of polarized Raman spectroscopy to crystal orientation and structural order in antimony chalcogenide (Sb$_2$S$_3$, Sb$_2$Se$_3$) as well as isostructural Bi$_2$S$_3$ thin films.
Comments16 pages, 10 figures
