超导电性
掺杂剂
材料科学
兴奋剂
凝聚态物理
联轴节(管道)
相(物质)
物理
结晶学
化学
量子力学
冶金
作者
Zepeng Wu,Yang Sun,A.P. Durajski,Feng Zheng,Vladimir Antropov,Kai‐Ming Ho,Shunqing Wu
标识
DOI:10.1103/physrevmaterials.7.l101801
摘要
We present a computational investigation into the effects of chemical doping with 15 different elements on phase stability and superconductivity in the $\mathrm{La}{\mathrm{H}}_{10}$ structure. Most doping elements were found to induce softening of phonon modes, enhancing electron-phonon coupling and improving critical superconducting temperature while weakening dynamical stability. Unlike these dopants, Ce was found to extend the range of dynamical stability for $\mathrm{La}{\mathrm{H}}_{10}$ by eliminating the Van Hove singularity near the Fermi level. The doped compound, ${\mathrm{La}}_{0.75}{\mathrm{Ce}}_{0.25}{\mathrm{H}}_{10}$, maintains high-temperature superconductivity. We also demonstrate that different Ce doping configurations in the $\mathrm{La}{\mathrm{H}}_{10}$ structure have a minimal effect on energetic stability and electron-phonon coupling strength. Our findings suggest that Ce is a promising dopant to stabilize $\mathrm{La}{\mathrm{H}}_{10}$ at lower pressures while preserving its high-temperature superconductivity.
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