超导电性
联轴节(管道)
环境压力
物理
高压
材料科学
凝聚态物理
结晶学
热力学
化学
冶金
作者
Han‐Bin Ding,Yu-Jie Feng,Meng‐Jing Jiang,Hui‐Li Tian,Guo‐Hua Zhong,Chunlei Yang,Xiao‐Jia Chen,Hai‐Qing Lin
出处
期刊:Physical review
日期:2022-09-12
卷期号:106 (10)
被引量:16
标识
DOI:10.1103/physrevb.106.104508
摘要
${\mathrm{LaH}}_{10}$ exhibits the near-room-temperature superconductivity, but the high fabrication pressure exceeding 200 GPa limits the possibility of its experimental research and application. To examine the feasibility of high-temperature superconductivity at ambient pressure in light-element compounds, we study the crystal structure, metallization, and electron-phonon interaction of $M{(\mathrm{BN})}_{5}$ ($M$ = La and Y) with ${\mathrm{LaH}}_{10}$-like clathrate configuration, based on the first-principles calculations. The result shows that adopting B and N to substitute H, the strong $s{p}^{3}$ hybridization between B and N greatly reduces the pressure to keep the dynamical stability. We predict that the strong electron-phonon coupling exists in $M{(\mathrm{BN})}_{5}$ and the ${T}_{c}$ values of $\mathrm{La}{(\mathrm{BN})}_{5}$ and $\mathrm{Y}{(\mathrm{BN})}_{5}$ reach 69 and 59 K at ambient pressure, respectively. As a result, the high-temperature superconductivity at ambient pressure in clathrate BN compounds has been proved theoretically, which provides a way to lower the work pressure of hydride superconductors.
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