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一种非中心对称ThNi化合物的超导态性质及电子能带结构计算

Superconducting-state properties and electronic band structure calculations of a noncentrosymmetric ThNi compound.

作者信息

Idczak R, Sahakyan M, Tran V H

出版信息

J Phys Condens Matter. 2018 Nov 28;30(47):475802. doi: 10.1088/1361-648X/aae7be. Epub 2018 Nov 2.

Abstract

Superconducting-state properties of a noncentrosymmetric ThNi compound have been investigated using magnetic, electrical resistivity and specific heat measurements as well as by electronic band structure calculations. The study reveals that the studied compound is a dirty type-II superconductor with [Formula: see text] K and a weak electron-phonon coupling [Formula: see text]. Moreover, in contrast to an exotic superconductivity observed previously in ThFe and ThCo, data reported in this paper give clear evidence that ThNi is a conventional single-gap superconductor. The experimental results are supported by DFT calculations of the electronic band structure, density of states, electron localization functions and Fermi surfaces which were performed using the full-potential linear muffin-tin-orbital and full-potential linearized augmented plane wave methods. Theoretical data show that asymmetric spin-orbit coupling in ThNi is quite small; hence the electronic band structure of this compound is weakly affected by the spin-orbit effects. We have determined fundamental parameters of ThNi and compared the superconducting properties with other ThT (T  =  Fe, Co and Ru) compounds.

摘要

利用磁性、电阻率和比热测量以及电子能带结构计算,对一种非中心对称的钍镍化合物的超导态性质进行了研究。研究表明,所研究的化合物是一种脏的II型超导体,其[公式:见原文]为K,电子-声子耦合较弱[公式:见原文]。此外,与之前在钍铁和钍钴中观察到的奇异超导性不同,本文报道的数据清楚地表明钍镍是一种传统的单能隙超导体。实验结果得到了电子能带结构、态密度、电子局域化函数和费米面的密度泛函理论(DFT)计算的支持,这些计算是使用全势线性 muffin-tin轨道和全势线性化增强平面波方法进行的。理论数据表明,钍镍中的不对称自旋-轨道耦合相当小;因此,该化合物的电子能带结构受自旋-轨道效应的影响较弱。我们已经确定了钍镍的基本参数,并将其超导性质与其他钍T(T = Fe、Co和Ru)化合物进行了比较。

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