Pressure-Induced Metallization and Novel Superconductivity of Chalcogen Hydrides
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摘要: 富氢化合物在目前实验所能达到的压力范围内有望实现金属化，是潜在的具有高超导临界温度的材料。实验和理论研究均发现高压下S-H化合物的超导临界温度高达203 K，创造了高温超导的新纪录，掀起了新一轮富氢化合物超导电性研究的热潮。本文主要介绍近年来关于氧族氢化物的压致金属化和奇异超导电性研究，对比分析氧族富氢化合物高压行为的异同。氧族元素的最外层电子排布相同，但原子质量和电负性的差异巨大，导致形成的富氢化合物在化学配比、结构、化学成键以及超导电性来源上存在较大差别。S-H和Se-H化合物的超导电性主要源自与氢原子拉伸振动模式相关的强电子-声子耦合，而Te-H和Po-H化合物中对超导电性贡献最大的是氢原子的切向振动模式。Abstract: Owing to their expected capability to reach metallization within the pressure range under the present laboratory conditions, hydrogen-rich compounds are considered promising candidates for potential high-Tc (superconductor critical temperature) superconductors.Both experimental and theoretical research have found that the critical high-temperature superconductivity can reach a record high-Tc as up to 203 K in compressed sulfur hydrides, thereby generating a new wave for searching for new hydrogen-rich superconductors.The present review focuses on researches of pressure-induced metallization and novel superconductivity in chalcogen hydrides, and discusses their differences in structures and various physical and chemical properties.Chalcogen atoms are isoelectronic but differ a lot in atomic mass and electronegativity, resulting in their great differences in stoichiometry, structure, and chemical bonding.The high-Tc superconductivity of Te/Po-H compounds originates from the strong electron-phonon couplings associated with the intermediate frequency of H-derived wagging and bending modes, a superconducting mechanism which differs substantially from those in S/Se-H compounds where the high frequency H-stretching vibrations make considerable contributions.
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Key words:
- high pressure /
- chalcogen hydrides /
- crystal structure /
- superconductivity
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图 1 超导材料发展时间线(1911-2017年)
Figure 1. Timeline of superconducting materials (From 1911 to 2017)
图 2 (a) Im-3m相H3S的晶体结构，小球表示H原子；(b) 150 GPa压力下HxS (x=2, 3, 4, 5, 6)化合物相对于单质H2和单质S分解的形成焓凸包图[17]；(c)不包含靶材特征峰的压致H2S的XRD谱[67](图中显示了H3S的Im-3m相和单质S的β-Po结构在170 GPa压力下的XRD谱，星号表示不属于样品的峰，空心圆标识的峰位对应高压下单质硫的第Ⅳ相)
Figure 2. (a) Crystal structure of H3S with Im-3m symmetry.The small ball indicates hydrogen.(b) Predicted formation enthalpies of HxS (x=2, 3, 4, 5, 6) with respect to decomposition into S and H2 under 150 GPa[17].(c) Integrated XRD patterns obtained with subtraction of the background for H2S.The patterns of Im-3m H3S and β-Po elemental sulfur at 170 GPa are shown in the experimentally obtained patterns.The asterisks indicate the peaks that do not belong to the sample and the open circles indicate a reflection fromthe high-pressure phase Ⅳ of the elemental sulfur[67].
图 3 (a) 氧族氢化物S-H[17]、Se-H[19]、Te-H[26]、Po-H[27]的形成焓凸包图；(b)氧族氢化物中富含氢且具有较高Tc的化学计量比的稳定压力区间
Figure 3. (a) Formation enthalpies of various chalcogen hydrides (S-H[17], Se-H[19], Te-H[26], Po-H[27]) with respect to decomposition into constituent elemental solids under pressure; (b) Pressure ranges in which the corresponding structures of different hydrogen-rich stoichiometries with high Tc are stabilized
图 4 200 GPa压力下氧族富氢化合物的稳定结构(小球和大球分别代表氢原子和氧族原子)
Figure 4. Structures of hydrogen-rich chalcogen hydrides under 200 GPa (Small and large spheres represent H and chalcogen atoms.)
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