超导电性
环境压力
原子轨道
氢化物
各向同性
凝聚态物理
声子
单层
超导转变温度
联轴节(管道)
材料科学
电子
化学
物理
纳米技术
热力学
复合材料
冶金
量子力学
金属
作者
Kaiyue Jiang,Yulin Han,Meiyan Ni,Hong‐Yan Lu
标识
DOI:10.1002/pssr.202300417
摘要
Although hydrides such as are experimentally confirmed to possess high superconducting critical temperature () of 250–260 K under 170–200 GPa, it is still a tough challenge to be applied. It is highly anticipated to find hydride superconductors with relatively high at low or ambient pressure. Reducing the dimensionality of materials can induce unexpected properties that are distinct from their bulk counterparts, and whether it can modulate the superconducting properties deserves further investigation. Herein, a new 2D monolayer aluminum hydride h ‐ is theoretically predicted under ambient pressure based on the first‐principles calculations. Since the electronic structures of h ‐ reveal the metallicity, the electron–phonon coupling (EPC) and possible phonon‐mediated superconductivity are investigated. Based on the isotropic Eliashberg equation, the calculated EPC constant λ of h ‐ is 1.16, and the is up to 42.6 K. The EPC mainly originates from the coupling between electrons of Al‐ s ,,, and H‐ s orbitals and the in‐plane vibration modes of H atoms. Especially, the can be enhanced to 63.7 K by applying 3% biaxial tensile strain. Thus, the predicted h ‐ provides a new platform for finding hydride superconductors in low‐dimensional materials at ambient pressure.
科研通智能强力驱动
Strongly Powered by AbleSci AI