高压下卤素化合物的反常物性

刘妍; 李达; 崔田

doi:10.11858/gywlxb.20220672

高压下卤素化合物的反常物性

doi: 10.11858/gywlxb.20220672

刘妍^1,,
李达^1,*, ,,
崔田^{1, 2,*, ,}

1.
吉林大学物理学院超硬材料国家重点实验室, 吉林长春　130012
2.
宁波大学物理科学与技术学院, 浙江宁波　315211

详细信息

作者简介:
刘　妍（1996－），女，博士研究生，主要从事高压下新型材料的结构设计与性质研究.E-mail：liu_yan20@mails.jlu.edu.cn

通讯作者:
李　达（1983－），男，博士，教授，主要从事高压下凝聚态物质结构与性质研究.E-mail：dali@jlu.edu.cn

崔　田（1964－），男，博士，教授，主要从事高压下凝聚态物质结构与性质研究.E-mail：cuitian@nbu.edu.cn

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出版历程
- 收稿日期: 2022-10-08
- 修回日期: 2022-11-01
- 网络出版日期: 2022-11-30
- 刊出日期: 2022-12-05

Abnormal Properties of Halogen Compounds under High Pressure

LIU Yan^1
,,
LI Da^{1,*
, ,},
CUI Tian^{1, 2,*
, ,}

1.
State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, Jilin, China
2.
School of Physical Science and Technology, Ningbo University, Ningbo 315211, Zhejiang, China

摘要

摘要: 凝聚态物质的基本性质强烈依赖其微观构型及电子结构，而高压可以有效地减小原子间距离，引起物质电子构型的重新排布并改变键合模式，从而使物质以有违传统的物理、化学状态存在，形成常压下无法获得的新结构、新现象和新性质。以第七主族卤素为例，简要介绍卤素化合物在高压下所呈现的反常物理性质。相关研究表明：在高压下卤素化合物呈现出异于常压的价态、配位以及成键方式。这些研究不仅提升了对卤素的基本认识，同时也拓宽了高压物理研究的新视野。
- 高压 /
- 卤素化合物 /
- 超配位 /
- 晶体结构
Abstract: The fundamental properties of condensed matter strongly depend on its microscopic configuration and electronic structure. High pressure can effectively reduce the distance between atoms, result in the rearrangement of electronic configuration and change the bonding mode, so that enabling the matter to exist in unconventional physical and chemical state, forming new structures, new phenomena and new properties that cannot be obtained under ambient pressure. In this paper, taking the main-group halogens as example, the abnormal physical properties of halogen compounds under high pressure are briefly introduced. Related studies have shown that the valence states, coordination, and bonding modes of halogen compounds under high pressure are different from those under ambient pressure. These studies not only enhance the basic understanding of halogen, but also broaden the view of high-pressure physics.
- high pressure /
- halogen compounds /
- hypercoordinate /
- crystal structure

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图 1 高压下Li-I^[34]和Mg-Br^[35]化合物的晶体结构和电子局域函数

Figure 1. Crystal structure and electron localized function (ELF) of Li-I^[34] and Mg-Br^[35] compounds under high pressure

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图 2 IF₈在300 GPa下的晶体结构和投影晶体轨道哈密顿布局分析^[49]

Figure 2. Crystal structure and projected crystal orbital Hamilton population (COHP) of IF₈ at 300 GPa^[49]

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图 3 IN₆在100 GPa下的晶体结构和投影晶体轨道哈密顿布局分析^[56]

Figure 3. Crystal structure and projected crystal orbital Hamilton population of IN₆ at 100 GPa^[56]

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图 4 OsF₈^[64]和IrF₈^[65]在300 GPa下的晶体结构和投影态密度

Figure 4. Crystal structure and projected density of states (PDOS) of OsF₈^[64] and IrF₈^[65] at 300 GPa

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图 5 高压下Cs-F^[67]和Hg-F^[71]化合物的晶体结构

Figure 5. Crystal structure of Cs-F^[67] and Hg-F^[71] compounds under high pressure

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高压下卤素化合物的反常物性

doi: 10.11858/gywlxb.20220672

作者简介: 刘 妍（1996－），女，博士研究生，主要从事高压下新型材料的结构设计与性质研究.E-mail：liu_yan20@mails.jlu.edu.cn

通讯作者: 李 达（1983－），男，博士，教授，主要从事高压下凝聚态物质结构与性质研究.E-mail：dali@jlu.edu.cn 崔 田（1964－），男，博士，教授，主要从事高压下凝聚态物质结构与性质研究.E-mail：cuitian@nbu.edu.cn

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Abnormal Properties of Halogen Compounds under High Pressure

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作者简介:
刘　妍（1996－），女，博士研究生，主要从事高压下新型材料的结构设计与性质研究.E-mail：liu_yan20@mails.jlu.edu.cn

通讯作者:
李　达（1983－），男，博士，教授，主要从事高压下凝聚态物质结构与性质研究.E-mail：dali@jlu.edu.cn

崔　田（1964－），男，博士，教授，主要从事高压下凝聚态物质结构与性质研究.E-mail：cuitian@nbu.edu.cn