Bonding in phase change materials: concepts and misconceptions
Bonding in phase change materials: concepts and misconceptions
复制标题
相变材料中的键合：概念和误解
DOI：
10.1088/1361-648x/aab22e
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发表时间：
2018
期刊：
影响因子：
--
通讯作者：
R. O. Jones
中科院分区：
文献类型：
--
作者：
R. O. Jones
起源于化学的键概念是从凝聚态的角度来考察的，大约在1850年开始，从“价”和“键”这个词本身开始。19世纪对化学数据的分析在理解分子的连接性和立体化学方面取得了惊人的进步，几乎没有物理学家的投入，直到1925年及以后量子力学的发展。Pauling推广的价键方法以及Hund、Mulliken、Bloch和Hück el的分子轨道方法在随后的发展中发挥了主要作用，共价键中动能所起的中心作用(Ruedenberg等人)也是如此。“金属”(自由电子)和相关的方法，包括赝势和密度泛函理论，在理解分子和固体中的结构和成键方面取得了显著的成功。我们在相变材料的背景下讨论这些概念，其中涉及非晶态和晶态之间的快速和可逆转变，并注意到一些材料引起的混乱，特别是“共振”和“共振成键”。
Bonding concepts originating in chemistry are surveyed from a condensed matter perspective, beginning around 1850 with ‘valence’ and the word ‘bond’ itself. The analysis of chemical data in the 19th century resulted in astonishing progress in understanding the connectivity and stereochemistry of molecules, almost without input from physicists until the development of quantum mechanics in 1925 and afterwards. The valence bond method popularized by Pauling and the molecular orbital methods of Hund, Mulliken, Bloch, and Hückel play major roles in the subsequent development, as does the central part played by the kinetic energy in covalent bonding (Ruedenberg and others). ‘Metallic’ (free electron) and related approaches, including pseudopotential and density functional theories, have been remarkably successful in understanding structures and bonding in molecules and solids. We discuss these concepts in the context of phase change materials, which involve the rapid and reversible transition between amorphous and crystalline states, and note the confusion that some have caused, in particular ‘resonance’ and ‘resonant bonding’.