Ab initio theory of superconductivity.: II.: Application to elemental metals -: art. no. 024546

被引:205
作者
Marques, MAL
Lüders, M
Lathiotakis, NN
Profeta, G
Floris, A
Fast, L
Continenza, A
Gross, EKU
Massidda, S
机构
[1] Free Univ Berlin, Inst Theoret Phys, D-14195 Berlin, Germany
[2] INFM, LAMIA, Genoa, Italy
[3] Univ Wurzburg, Inst Theoret Phys, D-97074 Wurzburg, Germany
[4] Daresbury Lab, Warrington WA4 4AD, Cheshire, England
[5] Univ Aquila, Dipartimento Fis, I-67010 Coppito, LAquila, Italy
[6] Univ Aquila, CASTI, INFM, I-67010 Coppito, LAquila, Italy
[7] Univ Cagliari, INFM, SLACS, Sardinian Lab Computat Mat Sci, I-09124 Monserrato, Cagliari, Italy
[8] Univ Cagliari, Dipartimento Sci Fisiche, I-09124 Monserrato, Cagliari, Italy
[9] SP Swedish Natl Testing & Res Inst, S-50115 Boras, Sweden
关键词
D O I
10.1103/PhysRevB.72.024546
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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.
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页数:13
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