第二主族氢化物的高压研究

吴刚; 黄晓丽; 李鑫; 黄艳萍; 刘明坤; 崔田

doi:10.11858/gywlxb.2017.06.002

第二主族氢化物的高压研究

doi: 10.11858/gywlxb.2017.06.002

吉林大学物理学院，超硬材料国家重点实验室，吉林长春 130012

基金项目:

国家自然科学基金 51572108

国家自然科学基金 51632002

国家自然科学基金 51025206

国家自然科学基金 11274137

国家自然科学基金 11474127

国家自然科学基金 11504127

教育部长江学者和创新团队发展计划 IRT_15R23

；国家基础科学人才培养基金 J1103202

高等学校学科创新引智计划 B12011

吉林大学研究生创新基金 2016016

详细信息

作者简介:
吴刚(1990-), 男, 博士研究生, 主要从事高压下富氢体系研究.E-mail:wugang14@mails.jlu.edu.cn

通讯作者:
崔田(1964-), 男, 博士, 教授, 主要从事高压下物质结构与性质研究.E-mail:cuitian@jlu.edu.cn

中图分类号: O521.2
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出版历程
- 收稿日期: 2017-07-13
- 修回日期: 2017-07-25

High Pressure Investigation on the Alkaline-Earth Metal Hydride

State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China

摘要

摘要: 富氢化合物的压致金属化和超导电性是实现金属氢和高温超导体的有效途径，已成为物理学、材料科学等学科的研究热点之一。从应用上看，富氢化合物是潜在的储氢材料，研究高压下富氢化合物结构和性质变化是提升其储氢性能的有效手段。以典型的第二主族氢化物为例，简要地介绍了第二主族氢化物在高压下的实验与理论研究成果，包括高压结构相变、新结构的稳定性以及金属化机制，并探讨不同的氢构型对压致金属化及超导电性的影响。
- 金属氢化物 /
- 结构相变 /
- 金属化 /
- 高温超导
Abstract: As an effective way to realize metal hydrogen and high-temperature superconductors, the metalization and superconductivity of hydrogen-rich compounds have become one of the hot spots of physics and materials science.In practical application, hydrogen-rich compounds are also potential hydrogen storage materials.The study of the structure and properties of hydrogen-rich compounds under high pressure is considered to be an effective means to enhance their hydrogen storage performance.In this paper, high pressure experimental and theoretical researches on the second main group hydrides, a typical kind of rich hydrogen compounds, were briefly introduced, including high pressure structural phase transition, the stability of the new structure, the mechanism of metalization.The effects of different hydrogen motifs on superconductivity were also discussed.
- metal hydride /
- structural phase transition /
- metallization /
- high temperature superconductivity

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图 1 MgH₂在不同压力下的XRD精修结果及体积随压力的变化

Figure 1. Rietveld refinement for XRD pattern of MgH₂ at corresponding pressure (a), and the volume per MgH₂ unit as a function of pressure (b)

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图 2 CaH₂的常压结构Pnma (a)和两种高压相结构P6₃/mmc (b)及P6/mmm (c)^[40]

Figure 2. The ambient structure of CaH₂ ((a) space group Pnma) and two high pressure phases P6₃/mmc (b) and P6/mmm (c)^[40]

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图 3 第二主族二氢化物的高压相序(实验确定的相序与实验压力范围之外的理论预测结果分别用实线和虚线标示。涉及的参考文献：[24](BeH₂)、[28, 44](MgH₂)、[36, 40](CaH₂)、[37](SrH₂)、[38-39, 41-42](BaH₂)

Figure 3. High pressure phase transition sequence of alkaline earth dihydrides (The results obtained in experiments are indicated with the solid lines.The theoretical predictions beyond the experimental pressure region are indicated with dash lines.Corresponding reference:[24](BeH₂), [28, 44](MgH₂), [36, 40](CaH₂), [37](SrH₂), [38-39, 41-42](BaH₂).)

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图 4 Mg-H体系的高压结构

Figure 4. High pressure crystal structure of Mg-H system

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图 5 Ca-H体系的高压结构

Figure 5. High pressure crystal structure of Ca-H system

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图 6 150 GPa时SrH₆^[49]与BaH₆^[47]的结构

Figure 6. Structures of SrH₆^[49] (a) and BaH₆^[47] (b) at 150 GPa

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