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首页> 外文期刊>Physical review >Emergence of a Kondo singlet state with Kondo temperature well beyond 1000 K in a proton-embedded electron gas
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Emergence of a Kondo singlet state with Kondo temperature well beyond 1000 K in a proton-embedded electron gas

机译：质子嵌入电子气中近藤温度远超过1000 K的近藤单重态的出现

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摘要

Hydrogen in metals has attracted much attention for a long time from both basic scientific and technological points of view. Its electronic state has been investigated in terms of a proton embedded in the electron gas mostly by the local density approximation (LDA) to the density functional theory. At high electronic densities, it is well described by a bare proton H~+ screened by metallic electrons (charge resonance), while at low densities two electrons are localized at the proton site to form a closed-shell negative ion H~- protected from surrounding metallic electrons by the Pauli exclusion principle. However, no details are known about the transition from H~+ to H~- in the intermediate-density region. Here, by accurately determining the ground-state electron distribution n(r) by the use of LDA and diffusion Monte Carlo simulations with the total electron number up to 170, we obtain a complete picture of the transition, in particular, a sharp transition from short-range H~+ screening charge resonance to long-range Kondo-type spin-singlet resonance, the emergence of which is confirmed by the presence of an anomalous Friedel oscillation characteristic to the Kondo singlet state with the Kondo temperature T_K well beyond 1000 K. This study not only reveals interesting competition between charge and spin resonances, enriching the century-old paradigm of metallic screening to a point charge, but also discovers a high-T_K system long sought in relation to the development of exotic superconductivity in the quantum critical regime.
机译：从基本的科学和技术角度来看，金属中的氢很长时间以来一直受到人们的关注。根据嵌入在电子气中的质子，主要通过对密度泛函理论的局部密度近似（LDA）研究了其电子状态。在高电子密度下，裸金属质子H〜+被金属电子屏蔽（电荷共振），可以很好地描述它；而在低密度下，两个电子位于质子部位，形成闭壳负离子H〜根据保利排斥原理围绕金属电子。但是，关于中密度区域中从H + +到Hα-的转变，没有任何详细信息。在这里，通过使用LDA和总电子数高达170的扩散蒙特卡罗模拟精确确定基态电子分布n（r），我们可以获得跃迁的完整图片，尤其是从短程H〜+筛选电荷共振至长距离Kondo型自旋单重共振，其出现是通过近藤温度T_K远超过1000 K的近藤单重态的反常Friedel振荡特征的存在而证实的这项研究不仅揭示了电荷与自旋共振之间的有趣竞争，将金属筛选的范式丰富到了点电荷，而且还发现了长期以来一直在寻求与量子临界中奇异超导电性发展相关的高T_K体系。政权。

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