氢与中心原子电子间库仑作用介导的氢笼合物中高$T$ $_\textrm{C}$超导电性
High-$T$$_\textrm{C}$ Superconductivity in Hydrogen Clathrates Mediated by Coulomb Interactions between Hydrogen and Central-Atom Electrons
摘要：
二元氢笼形化合物$M$ H $_\textrm{n}$在高压下形成的独特的宏观结构，一个围绕中心原子宿主的氢笼，在各种研究中理论上预测包括结构稳定的声子介导的超导体。迄今为止，对于具有$M$ = La、Y和Th的合成，已经测量到高的相变温度$T$ $_\textrm{C}$。在压缩LaH $_\textrm{10}$，独立的研究报告$T$ $_\textrm{C}$的250 K和超过260 K，最大的$T$ $_\textrm{C}$与压力$P$，和正常状态电阻随温度缩放（建议非常规配对）。根据已报道的$Fm$ $\bar{3}$ $m$ -相LaH $_\textrm{10}$的能带结构计算，La是阴离子，化学价电子在La和H之间平均分配。$_\textrm{10}$。因此，压缩的LaH $_\textrm{10}$包含结构、电荷分离和价电子的最佳平衡分配的组合，用于支持由与La和H $_\textrm{10}$相关的电子电荷之间的库仑相互作用介导的非常规高$T$ $_\textrm{C}$超导性.导出了$M$ H $_\textrm{n}$笼形物的最佳超导转变温度的一般表达式：$T$ $_\textrm{C0}$ = $k$ $_\textrm{B}$ $^{-1}$ $Λ$ [（n + $v$）/2 $A$ ] $^{1/2}$ $e$ $^{2}$ / $ζ$，其中$Λ$是通用常数，（n + $v$）是每个化学式单元的化学价和，对于H取1，对于原子$M$取$v$，$A$是H-多面体笼的表面积，$ζ$是$M$位点与多面体面的质心之间的平均距离。应用于$Fm$ $\bar{3}$ $m$ LaH $_\textrm{10}$，发现两个实验的$T$ $_\textrm{C0}$值分别为249.8（1.3）K和260.7（2.0）K。电荷分配、结构、有效库仑势等相关属性。. .
英文摘要：
The uniquely characteristic macrostructures of binary hydrogen-clathrate compounds $M$H$_\textrm{n}$ formed at high pressure, a cage of hydrogens surrounding a central-atom host, is theoretically predicted in various studies to include structurally stable phonon-mediated superconductors. High superconductive transition temperatures $T$$_\textrm{C}$ have thus far been measured for syntheses with $M$ = La, Y, and Th. In compressed LaH$_\textrm{10}$, independent studies report $T$$_\textrm{C}$ of 250 K and over 260 K, a maximum in $T$$_\textrm{C}$ with pressure $P$, and normal-state resistance scaling with temperature (suggesting unconventional pairing). According to reported band structure calculations of $Fm$$\bar{3}$$m$-phase LaH$_\textrm{10}$, the La is anionic, with the chemical valence electrons appearing evenly split between La and H$_\textrm{10}$. Thus, compressed LaH$_\textrm{10}$ contains the combination of structure, charge separation, and optimal balanced allocation of valence electrons for supporting unconventional high-$T$$_\textrm{C}$ superconductivity mediated by Coulomb interactions between electronic charges associated with La and H$_\textrm{10}$. A general expression for the optimal superconducting transition temperature for $M$H$_\textrm{n}$ clathrates is derived as $T$$_\textrm{C0}$ = $k$$_\textrm{B}$$^{-1}$$Λ$[(n + $v$)/2$A$]$^{1/2}$$e$$^{2}$/$ζ$, where $Λ$ is a universal constant, (n + $v$) is the chemical valence sum per formula unit, taking unity for H and $v$ for atom $M$, $A$ is the surface area of the H-polyhedron cage, and $ζ$ is the mean distance between the $M$ site and the centroids of the polyhedron faces. Applied to $Fm$$\bar{3}$$m$ LaH$_\textrm{10}$, $T$$_\textrm{C0}$ values of 249.8(1.3) K and 260.7(2.0) K are found for the two experiments. Associated attributes of charge allocation, structure, effective Coulomb potential, . . .
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