典型双原子分子晶体的高压解离和单原子相

High Pressure Dissociation of Typical Diatomic Molecular Solids and Their Atomic Phases

高压可以有效地改变材料内部原子间的相互作用(如电子轨道重叠、化学成键、电荷分布等),进而改变材料的晶体结构、力学、热学、光学、电学等宏观物理性质。一百多年来,实验压力极限和高压理论方法的不断突破推动着高压学科的快速发展。在高压科学中,典型非极性双原子分子晶体的高压解离研究无疑是挑战高压极限的热点问题,也是20世纪高压物理重点解决的关键问题。针对元素周期表中质量最轻的H2、O2和N23种典型双原子共价非极性分子晶体的高压解离行为进行讨论,具体分析了解离产生的物理机制,评述了分子解离后形成的单原子相。

High pressure can effectively modify the inter-atomic interaction of materials （i. e., the electron orbital overlap, chemical bonding, and electron charge distribution of materials）, and further the crystal structures, mechanical, thermal, optical and electrical properties of materials. For more than one century, the progress in experimental generation of highest pressure and the development of advanced theoretical method have significantly moved forward the high pressure science. One of the most challenging research topics under high pressure is targeted to the investigation of pressureinduced diatomic molecular dissociation. This article reviewed the high pressure dissociation of typical diatomic molecular solids of H2,O2 and N2 and their atomic phases reported in the literature,and the dissociation mechanisms were also discussed.