金属氢配体化合物:环境压力下通往超导金属氢的潜在道路OA
Metallic Hydrogen Ligand Compounds:A Potential Route to Superconducting Metallic Hydrogen at Ambient Pressure
金属氢因具有室温超导电性、量子流体等特性,被认为是高压物理研究领域的"圣杯".理论研究认为,获得原子化的金属氢需要 500 GPa以上压强,因此,自从 1935 年金属氢概念被提出以来,至今尚未在实验中获得.为使人们能够在生产和生活中利用金属氢的特殊性质,需要在环境压力下获得金属氢.目前,低压下获得金属氢的研究思路是利用氢化物的"化学预压缩"让氢在较低压力下进行金属化,即寻找特殊的氢化物作为金属氢性质的宿主.但是,这类材料至今没有明显的结构特征,不仅加大了探索金属氢宿主材料的难度,还打击了人们在环压力下获得金属氢性质的信心.为此,科研人员又提出了以氢为配体的高配位氢化物——低压下金属氢性质的潜在宿主,其中,配体氢的非键轨道是否金属化是氢配体化合物能否承载金属氢性质的判断标准.首先,总结了氢在常压下的主要行为,重点关注常压下的氢配体化合物;然后,通过一维氢原子链这一简单模型,分析非键轨道金属化的原因和降低稳定压力的物理图像;接着,分析金属氢配体化合物的轨道特点,指出其超导电性、拓扑性质和实现金属化的电子结构规律.所提出的关于金属氢配体化合物的分析,不仅为未来探索金属氢化物超导体提供了重要的结构信息,更为人们在环境压力下获得金属氢的性质提供了重要的理论基础.
Metallic hydrogen,with its properties including room-temperature superconductivity and quantum fluidity,is known as the holy grail of high-pressure physics.However,since atomic metallic hydrogen requires pressures about 500 GPa,it has not been realized in experiments since its conception in 1935.To take advantage of properties the properties of metallic hydrogen in the future,it will be crucial to obtain it at ambient pressure.Current approaches to obtaining metallic hydrogen at low pressures rely on the"chemical precompression"in hydrides to induce metallization of hydrogen at low pressures,essentially identifying superconducting hydrides that can host the properties of metallic hydrogen.However,these superconducting hydrides currently lack distinct structural features,complicating the search for metallic hydrogen hosts.Here,we identify metallic hydrogen ligand compounds with hydrogen as the ligands as potential hosts for properties of metallic hydrogen at low pressures.The metallization of the non-bonding orbitals of the hydrogen ligands is a key criterion for determining whether a metallic hydrogen ligand compound can host metallic hydrogen properties.This article summarizes the main behaviors of hydrogen at ambient pressure,focusing on hydrogen ligand compounds at ambient pressure.Then,using a simple model of a one-dimensional hydrogen atom chain,we analyzed the causes of non-bonding orbital metallization and the physical picture of reduced stability pressure.The orbital characteristics of metallic hydrogen ligand compounds are then analyzed,highlighting their rules of superconductivity,topological properties,and the electronic structure that enable metallization.The analysis of metallic hydrogen ligand compounds presented in this article not only provides important structural information for future exploration of metal hydride superconductors but also provides an important theoretical foundation for realizing the properties of metallic hydrogen at ambient pressure.
张子涵;段德芳;崔田
乌普萨拉大学物理与天文系,乌普萨拉 75120吉林大学物理学院,超硬材料国家重点实验室,物质模拟方法与软件教育部重点实验室,吉林 长春 130012吉林大学物理学院,超硬材料国家重点实验室,物质模拟方法与软件教育部重点实验室,吉林 长春 130012||宁波大学物理科学与技术学院高压物理科学研究院,浙江 宁波 315211
数理科学
金属氢超导氢化物电子结构化学预压缩
metallic hydrogensuperconducting hydrideselectronic structurechemical precompression
《高压物理学报》 2026 (4)
52-59,8
国家重点研发计划(2022YFA1402304,2023YFA1406200)国家自然科学基金(12122405,122741695)中央高校基本科研业务费专项资金
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