| First-Principles Calculation for the Electron-Phonon Coupling Constant of Superconducting MgB2 |
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| 作者姓名： | 陈向荣 郭华忠 蔡灵苍 高洁 |
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| 作者单位： | [1]InstituteofAtomicandMolecularPhysics,SichuanUniversity,Chengdu6100652／／InternationalCentreforMaterialsPhysics,ChineseAcademyofSciences,Shenyang110016 [2]InstituteofAtomicandMolecularPhysics,SichuanUniversity,Chengdu610065 [3]LaboratoryforShockWaveandDetonationPhysicsResearch,InstituteofFluidPhysics,ChineseAcademyofEngineeringPhysics,Mianyang621900 [4]CollegeofPhysicalScienceandTechnology,SichuanUniversity,Chengdu610065 |
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| 摘 要： | We use a first-principles plane wave method with the new relativistic analytic pseudopotential of the Hartwigsen,Goedecker and Hurter (HGH) scheme and the pseudopotential of the Troullier-Martins scheme to calculate the eleetron-phonon coupling constant λ of superconducting MgB2. The calculated results show that there is a peak at about 300-350cm^-1 in the eleetron-phonon spectral functional α2F(ω), duo to the coupling of the electrons to the acoustic phonon, and the relativistic effect appears in the high frequencies zone. All the results agree well with the present and previous experimental data,
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| 关 键 词： | 基本原理计算 电子-声子耦合常数 硼化镁 超导材料 |
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