Polarizability volumes in crystals of inorganic compounds

IF 2.8 3区 物理与天体物理 Q2 PHYSICS, CONDENSED MATTER Physica B-condensed Matter Pub Date : 2025-06-15 Epub Date: 2025-03-25 DOI:10.1016/j.physb.2025.417182
Dimitar N. Petrov, B.M. Angelov
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Abstract

The polarizability volumes in a number of inorganic crystals have been evaluated in two routes: by indices of refraction (Lorenz-Lorentz equation) and by relative dielectric permittivities (Clausius-Mossotti equation). The compounds include binary and complex oxides, fluorides as well as chalcogenides. The polarizability volume for each compound has been normalized with the volume occupied by one “molecule” or “formula unit” in the crystal. The relevant crystal structures have been restricted to those of the most stable polymorphs under standard conditions. It has been found that the polarizability volumes based on the indices of refraction account for a part (mostly 40–60 %) of those calculated using relative dielectric permittivities. The distribution of the polarizability volumes in respect to the orders of the point groups of the space groups has been also discussed.
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无机化合物晶体的极化体积
许多无机晶体的极化体积有两种计算方法:折射率(洛伦兹-洛伦兹方程)和相对介电常数(克劳修斯-莫索蒂方程)。这些化合物包括二元和复合氧化物、氟化物和硫族化合物。每种化合物的极化体积都被归一化,晶体中的一个“分子”或“分子式单元”占据了体积。相关的晶体结构仅限于在标准条件下最稳定的多晶。根据折射率计算的极化率体积占相对介电常数计算的极化率体积的一部分(约为40 - 60%)。讨论了极化体积在空间群的点群阶上的分布。
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来源期刊
Physica B-condensed Matter
Physica B-condensed Matter 物理-物理:凝聚态物理
CiteScore
4.90
自引率
7.10%
发文量
703
审稿时长
44 days
期刊介绍: Physica B: Condensed Matter comprises all condensed matter and material physics that involve theoretical, computational and experimental work. Papers should contain further developments and a proper discussion on the physics of experimental or theoretical results in one of the following areas: -Magnetism -Materials physics -Nanostructures and nanomaterials -Optics and optical materials -Quantum materials -Semiconductors -Strongly correlated systems -Superconductivity -Surfaces and interfaces
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