Superconductivity in Alkali Metal-Deposited Monolayer BC: MBC (M = Na, K)

IF 1.1 3区 物理与天体物理 Q4 PHYSICS, APPLIED Journal of Low Temperature Physics Pub Date : 2024-10-22 DOI:10.1007/s10909-024-03227-6
Ya-Ping Li, Liu Yang, Hao-Dong Liu, Shu-Ying Shang, Ying-Jie Chen
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Abstract

In recent years, as two-dimensional (2D) materials have been widely used in electronic devices, searching for 2D high superconducting transition temperature (\(T_{c}\)) superconductors has also attracted great attentions. In this work, based on first-principles calculations and Eliashberg equation, the electronic structure, electron-phonon coupling (EPC) and possible superconductivity of alkali metal-deposited monolayer BC: MBC (M = Na, K) are studied. The results show that MBC (M = Na, K) are metallic and potential superconductors. The calculated EPC constants of MBC (M = Na, K) are 0.97 and 1.48, respectively. The strong coupling of MBC (M = Na, K) mainly origins from the coupling between electrons with the in-plane vibration modes of C and B atoms. The \(T_{c}\) of MBC (= Na, K) are 34.1 K and 41.7 K, respectively, and the \(T_{c}\) of NaBC can be increased to 45.6 K under 2% biaxial tensile strain, and the \(T_{c}\) of KBC can be boosted to 53.8 K under 1% biaxial tensile strain. It is anticipated that the predicted monolayer MBC (M = Na, K) and its strained cases can be realized in future experiments.

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碱金属沉积单层 BC 的超导性:MBC(M = Na、K)
近年来,随着二维(2D)材料在电子器件中的广泛应用,寻找二维高超导转变温度(T_{c}\)超导体也引起了人们的极大关注。本文基于第一性原理计算和埃利亚斯伯格方程,研究了碱金属沉积单层 BC:MBC(M = Na、K)进行了研究。结果表明,MBC(M = Na,K)是金属和潜在的超导体。计算得出的 MBC (M = Na, K) 的 EPC 常数分别为 0.97 和 1.48。MBC (M = Na, K) 的强耦合主要源于电子与 C 原子和 B 原子的面内振动模式之间的耦合。MBC(M = Na, K)的\(T_{c}\)分别为34.1 K和41.7 K,在2%的双轴拉伸应变下,NaBC的\(T_{c}\)可提高到45.6 K,在1%的双轴拉伸应变下,KBC的\(T_{c}\)可提高到53.8 K。预计在未来的实验中可以实现预测的单层 MBC(M = Na、K)及其应变情况。
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来源期刊
Journal of Low Temperature Physics
Journal of Low Temperature Physics 物理-物理:凝聚态物理
CiteScore
3.30
自引率
25.00%
发文量
245
审稿时长
1 months
期刊介绍: The Journal of Low Temperature Physics publishes original papers and review articles on all areas of low temperature physics and cryogenics, including theoretical and experimental contributions. Subject areas include: Quantum solids, liquids and gases; Superfluidity; Superconductivity; Condensed matter physics; Experimental techniques; The Journal encourages the submission of Rapid Communications and Special Issues.
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