论文标题
cebeh $ _ {8} $和cebh $ _ {8} $的超导率在中等压力下
Superconductivity in CeBeH$_{8}$ and CeBH$_{8}$ at moderate pressures
论文作者
论文摘要
高压超压结构搜索CEBEH $ _8 $和CEBH $ _8 $的高压结构搜索在最高300 GPA的环境压力下进行。我们确定$ fm \ overline {3} m $ -cebeh $ _8 $，具有超导过渡温度$ t_ {c} $在10 GPA时为56 k的$。在增加的压力中，研究了另外两个带有SpaceGroup $ r \ Overline {3} m $和$ C2/m $的阶段。 CEBH $ _8 $显示出与CEBEH $ _8 $的相似相变过程，但具有更高的过渡压力和更高的$ T_C $。 $ fm \ overline {3} m $ -cebh $ _8 $预计将超过120 GPA，最大$ t_ {c} $在150 GPA时为118 k。 $ r \ Overline {3} m $ -CEBH $ _8 $和$ C2/m $ -CEBH $ _8 $分别在120 GPA和100 GPA上动态稳定。最大$ t_ {c} $为123 k，在195 gpa时为$ r \ overline {3} m $ -cebh $ _8 $，而在350 gpa的115 k，对于$ c2/m $ -cebh $ _8 $。我们的工作丰富了三元氢化物的家族，并可能为在低压和中等压力下进一步寻找超导氢化物提供有用的指南。
High-pressure structural searches of superhydrides CeBeH$_8$ and CeBH$_8$ were performed under ambient pressure up to 300 GPa. We identify $Fm\overline{3}m$-CeBeH$_8$ with a superconducting transition temperature $T_{c}$ of 56 K at 10 GPa. Two more phases with spacegroup $R\overline{3}m$ and $C2/m$, were investigated within the increasing pressures. CeBH$_8$ shows a similar phase transition process as CeBeH$_8$ but with higher transition pressures and higher $T_c$. $Fm\overline{3}m$-CeBH$_8$ is predicted to be superconducting above 120 GPa with a maximum $T_{c}$ of 118 K at 150 GPa. $R\overline{3}m$-CeBH$_8$ and $C2/m$-CeBH$_8$ are dynamically stable above 120 GPa and 100 GPa, respectively. The maximum $T_{c}$ is 123 K at 195 GPa for $R\overline{3}m$-CeBH$_8$, and 115 K at 350 GPa for $C2/m$-CeBH$_8$. Our work enriches the family of ternary hydrides and may provide a useful guideline for further search for superconducting hydrides at low and moderate pressures.
