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Microscopic mechanism of room-temperature superconductivity in compressed LaH_(10)

机译：压缩LAH_（10）中房间温度超导的微观机理

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摘要

Room-temperature superconductivity has been one of the most challenging subjects in modern physics. Recent experiments reported that lanthanum hydride LaH10 +/- x (x 1) raises a superconducting transition temperature T-c up to similar to 260 (or 250) K at high pressures around 190 (170) GPa. Here, based on first-principles calculations, we reveal that compressed LaH10 has symmetry-protected Dirac-nodal-line states, which split into holelike and electronlike bands at the high-symmetry points near the Fermi energy (E-F), thereby producing a van Hove singularity (vHs). The crystalline symmetry and the band topology around the high-symmetry points near E-F are thus demonstrated to be important for room-temperature superconductivity. Further, we identify that the electronic states at the vHs are composed of strongly hybridized La f and H s orbitals, giving rise to a peculiar characteristic of electrical charges with anionic La and both anionic and cationic H species. Consequently, a large number of electronic states at the vHs are strongly coupled to the H-derived high-frequency phonon modes that are induced via the unusual, intricate bonding network of LaH10, therefore yielding a high T-c. Our findings elucidate the microscopic mechanism of the observed high-T-c BCS-type superconductivity in LaH10, which can be generic to another recently observed high-T-c hydride H3S.
机译：室温超导是现代物理学中最具挑战性的主体之一。近期实验报道，氢化物LaH10 +/-X（X 1）将超导转变温度T-C提高至于2060（170）GPa的高压下的260（或250）k。在这里，基于第一原理计算，我们揭示了压缩的LAH10具有对称保护的DIRAC-LINE状态，其分成在费米能量（EF）附近的高对称点处的螺旋和电子条带，从而产生面包车Hove奇点（VHS）。因此，晶体对称性和围绕E-F附近的高对称点的拓扑表明对于室温超导性很重要。此外，我们认为VHS上的电子状态由强杂交的LA F和H S轨道组成，产生具有阴离子La和阴离子和阳离子H种的电荷的特殊特征。因此，VHS处的大量电子状态强烈地耦合到通过LAH10的不寻常的复杂的键合网络引起的H衍生的高频声子模式，因此产生高T-C。我们的研究结果阐明了在LAH10中观察到的高T-C BCS型超导性的显微镜机制，其可以是通用的最近观察到的高T-C氢化物H3。

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  • 来源
    《Physical review》 |2019年第14期|140501.1-140501.5|共5页
  • 作者

    Liu Liangliang; Wang Chongze; Yi Seho; Kim Kun Woo; Kim Jaeyong; Cho Jun-Hyung;

  • 作者单位

    Hanyang Univ Res Inst Nat Sci Dept Phys 222 Wangsimni Ro Seoul 04763 South Korea|Hanyang Univ HYU HPSTAR CIS High Pressure Res Ctr 222 Wangsimni Ro Seoul 04763 South Korea|Henan Univ Minist Educ Key Lab Special Funct Mat Kaifeng 475004 Peoples R China;

    Hanyang Univ Res Inst Nat Sci Dept Phys 222 Wangsimni Ro Seoul 04763 South Korea|Hanyang Univ HYU HPSTAR CIS High Pressure Res Ctr 222 Wangsimni Ro Seoul 04763 South Korea;

    Hanyang Univ Res Inst Nat Sci Dept Phys 222 Wangsimni Ro Seoul 04763 South Korea|Hanyang Univ HYU HPSTAR CIS High Pressure Res Ctr 222 Wangsimni Ro Seoul 04763 South Korea;

    Inst for Basic Sci Korea Ctr Theoret Phys Complex Syst Daejeon 34051 South Korea;

    Hanyang Univ Res Inst Nat Sci Dept Phys 222 Wangsimni Ro Seoul 04763 South Korea|Hanyang Univ HYU HPSTAR CIS High Pressure Res Ctr 222 Wangsimni Ro Seoul 04763 South Korea;

    Hanyang Univ Res Inst Nat Sci Dept Phys 222 Wangsimni Ro Seoul 04763 South Korea|Hanyang Univ HYU HPSTAR CIS High Pressure Res Ctr 222 Wangsimni Ro Seoul 04763 South Korea;

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