Ab initio theory of superconductivity. II. Application to elemental metals
Ab initio theory of superconductivity. II. Application to elemental metals
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DOI：
10.1103/physrevb.72.024546
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发表时间：
2004-08
影响因子：
3.7
通讯作者：
M. A. L. Marques;M. Lüders;N. Lathiotakis;G. Profeta;A. Floris;A. Floris;Lars Fast;A. Continenza;E. K. U. Gross;S. Massidda
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文献类型：
--
作者：
M. A. L. Marques;M. Lüders;N. Lathiotakis;G. Profeta;A. Floris;A. Floris;Lars Fast;A. Continenza;E. K. U. Gross;S. Massidda
将前文发展的超导体密度泛函理论应用于几种元素金属的超导性质的计算。特别地，我们给出了转变温度、零温下的能隙以及比热等热力学性质的结果。我们得到了前所未有的与实验结果一致的结果。具有强电声子耦合和弱电声耦合的超导体同样被描述得很好。这表明，就常规超导而言，超导性质的第一性原理预测是可行的。
The density functional theory for superconductors developed in the preceding article is applied to the calculation of superconducting properties of several elemental metals. In particular, we present results for the transition temperature, for the gap at zero temperature, and for thermodynamic properties like the specific heat. We obtain an unprecedented agreement with experimental results. Superconductors with both strong and weak electron-phonon coupling are equally well described. This demonstrates that, as far as conventional superconductivity is concerned, the first-principles prediction of superconducting properties is feasible.