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中国物理学会期刊

高温超导体MgB2的电子结构研究

CSTR: 32037.14.aps.50.1193

STUDY ON THE ELECTRONIC STRUCTURE OF HIGH-TC SUPERCONDUCTOR MgB2

CSTR: 32037.14.aps.50.1193
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  • 用第一性原理能带理论计算了高温超导体MgB2的电子结构.计算得出的电子能带说明MgB2是一种宽能带化合物,价带主要由Mg和B原子s和p的杂化形成.费米能级处的态密度N(EF)是0.72(states/eV).根据这些结果,初步推断出MgB2的超导电性的微观机制不可能是电子声子耦合的BCS模型,而是有待于探索的新机制

     

    We report a first-principles local density approximation band structure calculation on the electronic structure of high-TC superconductor MgB2.It is revealed that the band structure of magnesium diboride is of metallic type with a wide valence band.The density of states of electrons at Fermi energy is only about 0.72 (states/eV).We conclude that the present calculation excludes the possibility of BCS mechanism in MgB2.

     

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