高压下惰性元素氦化合物的研究进展

田艺帆; 刘寒雨

doi:10.11858/gywlxb.20230635

高压下惰性元素氦化合物的研究进展

doi: 10.11858/gywlxb.20230635

田艺帆^{1, 2, 3,},
刘寒雨^{1, 2, 3,*, ,}

1.
吉林大学物质模拟方法与软件教育部重点实验室，吉林长春　130012
2.
吉林大学超硬材料国家重点实验室，吉林长春　130012
3.
吉林大学物理学院，吉林长春　130012

基金项目: 国家自然科学基金（12074138）；吉林省科技发展计划项目（YDZJ202102CXJD016）

详细信息

作者简介:
田艺帆（1997－），女，博士研究生，主要从事极端高压下的计算凝聚态物理研究.E-mail：tianyifan0101@163.com

通讯作者:
刘寒雨（1984－），男，博士，教授，主要从事极端高压下的计算凝聚态物理研究.E-mail：lhy@calypso.cn

中图分类号: O521.2
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出版历程
- 收稿日期: 2023-04-03
- 修回日期: 2023-04-20
- 录用日期: 2023-04-21
- 刊出日期: 2023-06-05

Progress on Compounds of Inert Element Helium under High Pressure

TIAN Yifan^{1, 2, 3
,},
LIU Hanyu^{1, 2, 3,*
, ,}

1.
Key Laboratory of Material Simulation Methods & Software of Ministry of Education, Jilin University, Changchun 130012, Jilin, China
2.
State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, Jilin, China
3.
College of Physics, Jilin University, Changchun 130012, Jilin, China

摘要

摘要: 氦（He）是元素周期表第2号元素，也是宇宙中除氢以外含量最丰富的元素，广泛存在于恒星和气态巨行星（gas giant planets）的内部高压强（高压）极端环境中。氦因其满壳层的电子结构具有极强的化学惰性，极难与其他元素结合形成化合物。近年来，多项研究工作表明，惰性氦在极端高压条件下具有“不简单”的物理行为，如通过计算“预言”了在高压下稳定的铁氧氦化合物FeO₂He和具有反常原子传播的水氦化合物He-H₂O等。这些研究工作不仅有助于发现新的化学成键范式，也有力推动了高压物理、地学和行星科学等相关领域的研究进展。本文重点介绍了高压下氦化合物的相关研究进展，聚焦讨论氦化合物在高压下稳定的物理机制，并对未来在高压下设计和制备新型氦化合物的相关研究进行展望。
- 晶体结构预测 /
- 高压 /
- 惰性元素氦化合物
Abstract: Helium (He), the second element in the periodic table, is the most abundant element in the universe apart from hydrogen. It is widely accepted that He exists in the interiors of gas giant planets which holds the high-pressure conditions. Helium is extremely difficult to react with other elements to form compounds owing to its strong chemical inertness determined by the full-shell electronic structure. However, in recent years, several studies have shown that physical behavior of helium is not that simple under extremely high pressure, such as the predicted stable helium compound FeO₂He and the predicted water helium compound He-H₂O with anomalous atomic diffusion under high pressure. These results not only play a leading role in the discovery of new paradigm on chemical bonding, but also make a substantial step for the relevant researches in the fields of high-pressure physics, geoscience, and planetary science. This paper mainly introduces the progress on helium compounds at high pressure, focuses on discussing the physical mechanism of their stability, and provides prospects for future research on the design and discovery of new helium compounds under high pressure.
- crystal structure prediction /
- high pressure /
- inert helium compounds

HTML全文

图 1 He原子插入AB和AB₂型离子化合物的一维示意图（红色大圆圈代表带有1或2个正电荷的离子，蓝色小圆圈代表带有1个负电荷的离子，白色圆圈代表氦原子）

Figure 1. One-dimensional schematic diagrams of He atom insertion in AB and AB₂ ionic compounds (The large andred filled circles represent the ions with +1 or +2 charges, the small and blue filled circles representthe ions with –1 charge, the white circles represent the neutral helium atoms.)

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