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このアイテムの引用には次の識別子を使用してください:
http://hdl.handle.net/10119/14214
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| タイトル: | Emergence of a Kondo singlet state with Kondo temperature well beyond 1000 K in a proton-embedded electron gas |
| 著者: | Takada, Yasutami
Maezono, Ryo
Yoshizawa, Kanako |
| キーワード: | Diffusion Monte Carlo
Kondo singlet
Jellium sphere
Friedel oscillation |
| 発行日: | 2015-10-23 |
| 出版者: | American Physical Society |
| 誌名: | Physical Review B |
| 巻: | 92 |
| 号: | 15 |
| 開始ページ: | 155140-1 |
| 終了ページ: | 155140-11 |
| DOI: | 10.1103/PhysRevB.92.155140 |
| 抄録: | 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. |
| Rights: | Yasutami Takada, Ryo Maezono, and Kanako Yoshizawa, Physical Review B, 92(15), 2015, 155140-1-155140-11. Copyright 2015 by the American Physical Society. http://dx.doi.org/10.1103/PhysRevB.92.155140 |
| URI: | http://hdl.handle.net/10119/14214 |
| 資料タイプ: | publisher |
| 出現コレクション: | b10-1. 雑誌掲載論文 (Journal Articles)
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