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First-principles investigation of the superconducting properties of MgXB4 (X = Al, Li, Na, K)
Physica C: Superconductivity and its Applications ( IF 1.3 ) Pub Date : 2020-07-12 , DOI: 10.1016/j.physc.2020.1353732
Yongbo Li , Honggang Chen , Guangyu Han , Xiaopeng Zhao

The discovery of superconductivity of MgB2 has attracted considerable research attention. Further exploration and discovery of MgB2-like superconductors are important to determine the properties of MgB2 and enhance our understanding of the superconducting mechanism. Four MgB2-like MgXB4 (X = Al, Li, Na, K) superconductors based on an MgB2 structure were designed in this study. The electronic structure, phonon dispersion relationship, Eliashberg spectral function, electron-phonon coupling constant (λ), and superconductivity of MgXB4 were investigated using a first-principles approach. The results indicated that MgXB4 (X = Al, Li, Na, K) were dynamically stable and demonstrated metallic characteristics. Further study of the Eliashberg spectral function and electron-phonon coupling constant indicated that these compounds were superconductors. The calculated superconducting transition temperatures (TC) of MgXB4 (X = Al, Li, Na, K) were 0.12, 22.7, 28.1, and 30.4 K, respectively.



中文翻译:

MgXB 4X  = Al,Li,Na,K)的超导性质的第一性原理研究

MgB 2超导性的发现引起了相当大的研究关注。进一步探索和发现类似MgB 2的超导体对于确定MgB 2的性质和增强我们对超导机理的理解非常重要。在这项研究中设计了四个 基于MgB 2结构的MgB 2类MgXB 4X = Al,Li,Na,K)超导体。使用第一性原理研究了MgXB 4的电子结构,声子色散关系,Eliashberg谱函数,电子-声子耦合常数(λ)和超导性。结果表明,MgXB 4X  = Al,Li,Na,K)是动态稳定的,并显示出金属特性。进一步研究Eliashberg光谱函数和电子-声子耦合常数表明,这些化合物是超导体。MgXB 4X  = Al,Li,Na,K)的计算出的超导转变温度(T C)分别为0.12、22.7、28.1和30.4K 。

更新日期:2020-07-12
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