单层
超导电性
硼化物
凝聚态物理
材料科学
声子
过渡金属
硼
转变温度
金属
联轴节(管道)
结晶学
纳米技术
化学
物理
复合材料
冶金
催化作用
生物化学
有机化学
作者
Xiaoran Shi,Junfeng Gao,Shi Qiu,Yung‐Huang Chang,Luneng Zhao,Zhen‐Guo Fu,Jijun Zhao,Ping Zhang
标识
DOI:10.1088/1361-648x/ad0ace
摘要
The small atomic mass of boron indicates strong electron-phonon coupling (EPC), so it may have a brilliant performance in superconductivity. Recently, a new 2D boride sheet with ordered metal vacancies and surface terminals (Mo4/3B2-x) was realized in experiments (Zhouet al2021Science373801). Here, the 2D monolayer freestanding Mo4/3B2is evidenced to be thermodynamically stable. Through electronic structure, phonon spectrum and EPC, monolayer Mo4/3B2is found to be an intrinsic phonon-mediated superconductor. The superconducting transition temperature (Tc) is determined to be 4.06 K by the McMillian-Allen-Dynes formula. Remarkably, theTcof monolayer Mo4/3B2can be increased to 6.78 K with an appropriate biaxial tensile strain (+5%). Moreover, we predict that other transition metal replacing Mo atoms is also stable and retaining the superconductivity. Such as monolayer W4/3B2is also a superconductor with theTcof 2.37 K. Our research results enrich the database of 2D monolayer superconductors and boron-related formed materials science.
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