Jahn–Teller and Pseudo-Jahn–Teller Effects: From Particular Features to General Tools in Exploring Molecular and Solid State Properties,Chemical Reviews

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Jahn–Teller and Pseudo-Jahn–Teller Effects: From Particular Features to General Tools in Exploring Molecular and Solid State Properties
Chemical Reviews ( IF 51.4 ) Pub Date : 2020-12-22 , DOI: 10.1021/acs.chemrev.0c00718
Isaac B. Bersuker ₁

Affiliation

In a generalization of the latest achievements in this field, and as a pattern of massive applications, we present here the Jahn–Teller effect (JTE) and pseudo-JTE (PJTE) as general tools in the study of physical and chemical phenomena related to structural properties of polyatomic systems. We show that the JTE and PJTE are no more specific features of particular (rare) systems (as it was assumed earlier), but virtual properties of all molecular and solid state formations. They occur as a result of vibronic coupling that compensates for the error (inadequacy) introduced in semi-classical definitions of polyatomic configurations by their high-symmetry nuclear positions, thus appending the basic understanding of related phenomena with a new dimension. The implications of the JTE and PJTE in observable properties varies significantly, being especially strong in the states of electronic degeneracy or pseudodegeneracy, but they cannot be a priory fully excluded for any system. After the introductory sections we demonstrate some of the more recent results of the influence of these effects on the observables in physical and chemical phenomena, together with a wide range of applications. The latter are conventionally separated in three parts: intermediate states in chemical and photochemical reactions, manipulation of structural properties of polyatomic systems targeting the JTE and PJTE, and applications in materials science. The illustrative examples include the origin of sudden polarization in photochemical reactions, methods of planarization of puckered (buckled) two-dimensional systems, modification of crystal sublattices by targeting the JTE parameters, the defining role of JTE and PJTE in electronics and spintronics, the origin of ferroelectricity and multiferroicity, as well as a novel property of solids, orientational polarization, and its applications.

中文翻译：

Jahn–Teller和伪Jahn–Teller效应：从特定特征到探索分子和固态特性的通用工具

为了概括该领域的最新成就，并作为大规模应用的一种模式，我们在此介绍Jahn–Teller效应（JTE）和伪JTE（PJTE），作为研究与之相关的物理和化学现象的通用工具多原子系统的结构特性。我们表明，JTE和PJTE不再是特定（稀有）系统的特定特征（如先前所假设），而是所有分子和固态形式的虚拟特性。它们的发生是由于振动耦合引起的，该振动耦合通过其高对称核位置来补偿多原子构型的半经典定义中引入的误差（不足），从而以新的维度补充了对相关现象的基本理解。JTE和PJTE对可观察特性的影响差异很大，在电子简并或伪简并状态中特别强大，但是它们不能被任何系统完全排除在先验之外。在介绍性部分之后，我们演示了这些影响对物理和化学现象中的可观察物的影响的一些最新结果，以及广泛的应用。后者通常分为三个部分：化学和光化学反应中的中间状态，针对JTE和PJTE的多原子体系结构特性的操纵以及在材料科学中的应用。说明性示例包括光化学反应中突然极化的起源，褶皱（屈曲）二维系统的平面化方法，通过瞄准JTE参数修改晶体亚晶格，

更新日期：2021-02-10

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