论文标题
通过掺杂而无需施加压力，对RBH超导性的第一原理研究
A first-principles study of superconductivity on RbH by doping without applied pressure
论文作者
论文摘要
The structural, electronic, lattice dynamics, electron-phonon coupling, and superconducting properties of the alkali-metal hydride RbH, metalized through electron-doping by the construction of the solid-solution Rb$_{1-x}$Sr$_x$H, are systematically analyzed as a function of Sr-content within the framework of density functional perturbation and Migdal-Eliashberg理论考虑了准谐波近似零点能量贡献的影响。对于整个研究的SR-Content范围，可以通过电子兴奋剂来进行电子 - 音波耦合常数和超导临界温度的稳定增量，并通过电子兴奋剂进行了循序渐进，达到$λ= 1.92 $ = 1.92 $和$ t_c = 1.92 $和$ t_c = 51.3（66.1）$ 〜k with $ uncy = 0.1（66.1）$^0.1（0.1）。观察到氢化物的金属化作为在费米水平上的状态密度增加以及声音光谱的软化，主要来自H光学模式，因此这种数量的稳定上升是氢化物的金属化的结果。我们的结果表明，在金属氢上进行电子掺杂是一种令人鼓舞的替代方法，可以在没有施加压力的情况下寻找超导性。
The structural, electronic, lattice dynamics, electron-phonon coupling, and superconducting properties of the alkali-metal hydride RbH, metalized through electron-doping by the construction of the solid-solution Rb$_{1-x}$Sr$_x$H, are systematically analyzed as a function of Sr-content within the framework of density functional perturbation and Migdal-Eliashberg theories, taking into account the effect of zero-point energy contribution by the quasi-harmonic approximation. For the entire studied range of Sr-content, steady increments of the electron-phonon coupling constant and the superconducting critical temperature are found with progressive alkaline-earth metal content through electron-doping, reaching the values of $λ=1.92$ and $T_c=51.3(66.1)$~K with $μ^*$=0.1(0). The steady rise of such quantities as a function of Sr-content is consequence of the metallization of the hydride as an increase of density of states at the Fermi level is observed, as well as the softening of the phonon spectrum, mainly coming from H-optical modes. Our results indicate that electron-doping on metal-hydrides is an encouraging alternative to look for superconductivity without applied pressure.
