超导电性
兴奋剂
凝聚态物理
石墨烯
物理
联轴节(管道)
声子
材料科学
量子力学
冶金
出处
期刊:Physical review
日期:2022-07-25
卷期号:106 (2)
标识
DOI:10.1103/physrevb.106.024515
摘要
The discovery of room-temperature superconductors has aroused great attention in pressure-induced superhydrides. Herein we explore the doping effects on the newly proposed penta-graphene-like hydrides ${\mathrm{ZrH}}_{10}$ and ${\mathrm{HfH}}_{10}$ from first-principles calculations. Imaginary phonon frequencies of $P{6}_{3}/mmc\phantom{\rule{4pt}{0ex}}{\mathrm{ZrH}}_{10}$ and ${\mathrm{HfH}}_{10}$ at lower pressures are found to be eliminated by hole doping, leading to more accessible superconductivity. At high pressures, phonons are prone to be softened by electron doping, which increases the electron-phonon coupling and the superconducting critical temperature (${T}_{c}$). Doping is found to be an effective way to lower the stabilization pressure and increase the ${T}_{c}$ of $P{6}_{3}/mmc\phantom{\rule{4pt}{0ex}}{\mathrm{ZrH}}_{10}$ and ${\mathrm{HfH}}_{10}$. This work paves an avenue for realizing low-pressure high-${T}_{c}$ superconducting hydrides.
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