发表机构
Northeast Normal University; Jiangsu Normal University; Jilin University（东北师范大学; 江苏师范大学; 吉林大学）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
通过第一性原理计算和Migdal-Eliashberg理论，预测四层Kagome硼烯在102 K实现破纪录的元素超导电性，其机制为面外s-pz键合介导的配对，展示了共价堆垛工程在二维材料高Tc超导中的潜力。
AI 中文摘要
在二维元素晶体中，液氮温度以上的超导电性仍然罕见，因为强共价键通常导致高声子频率但电子-声子耦合不足。在此，利用第一性原理计算和完全各向异性的Migdal-Eliashberg理论，我们预测了由ABAB共价堆垛稳定的四层Kagome硼烯（TKB）是一种液氮温度元素超导体。预测临界温度为102 K，TKB在已报道的元素超导体中创下最高纪录。与已知的以面内sigma键合态和高频面内B-B伸缩模式为主的高Tc硼基超导体不同，TKB实现了一种面外s-pz键合介导的配对机制，其中费米能级处的层间s-pz键合态与硼原子的低频面外振动强耦合。这些结果揭示了多层硼烯中一种独特的面外配对通道，并确立了共价堆垛工程作为二维材料中高Tc超导电性的潜在途径。
英文摘要
Superconductivity above the liquid-nitrogen temperature remains rare in two-dimensional elemental crystals, where strong covalent bonding often yields high phonon frequencies but insufficient electron-phonon coupling. Here, using first-principles calculations and fully anisotropic Migdal-Eliashberg theory, we predict tetralayer kagome borophene (TKB) stabilized by ABAB covalent stacking, as a liquid-nitrogen-temperature elemental superconductor. With a predicted critical temperature of 102 K, TKB sets a record-high value among previously reported elemental superconductors. Unlike known high-Tc boron-based superconductors dominated by in-plane sigma-bonding states and high-frequency in-plane B-B stretching modes, TKB realizes an out-of-plane s-pz-bonding-mediated pairing mechanism, in which interlayer s-pz bonding states at the Fermi level are strongly coupled to low-frequency out-of-plane vibrations of boron atoms. These results reveal a distinct out-of-plane pairing channel in multilayer borophene and establish covalent stacking engineering as a potential route for high-Tc superconductivity in two-dimensional materials.
Comments6 pages, 3 figures
