| 第一性原理计算MgB2薄膜拉伸对超导电性的影响 |
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| 引用本文： | 舒华兵,刘 甦,马 荣,刘 楣. 第一性原理计算MgB2薄膜拉伸对超导电性的影响[J]. 物理学报, 2007, 56(12): 7262-7265 |
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| 作者姓名： | 舒华兵 刘 甦 马 荣 刘 楣 |
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| 作者单位： | 东南大学物理系，南京 210096;东南大学物理系，南京 210096;东南大学物理系，南京 210096;东南大学物理系，南京 210096 |
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| 基金项目： | 国家自然科学基金(批准号:10574021)和高等学校博士学科点专项科研基金(批准号:20060286044)资助的课题. |
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| 摘 要： | 应用全势线性响应线性糕模轨道方法计算MgB2的电子能带结构、声子谱及电声子耦合常数,并讨论MgB2的超导电性.通过比较MgB2薄膜双轴拉伸前后超导电性的变化可以看出，随着a轴晶格常数增大和c轴晶格常数减小,声子谱中硼的E2g声子频率显著下降，使得电声子耦合强度λ和声子对数平均频率ωln增强,提高了MgB2薄关键词：超导电性能带结构声子频率电声子耦合
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| 关 键 词： | 超导电性 能带结构 声子频率 电声子耦合 |
| 文章编号： | 1000-3290/2007/56(12)/7262-04 |
| 收稿时间： | 2007-04-02 |
| 修稿时间： | 2007-04-02 |
First principles calculations of the effect of tension of MgB2 film on its superconductivity |
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| Shu Hua-Bing,Liu Su,Ma Rong and Liu Mei. First principles calculations of the effect of tension of MgB2 film on its superconductivity[J]. Acta Physica Sinica, 2007, 56(12): 7262-7265 |
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| Authors: | Shu Hua-Bing Liu Su Ma Rong Liu Mei |
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| Abstract: | Using the full-potential linear-muffin-tin-orbital programs and the linear-response linear-muffin-tin-orbital programs，we calculated the electronic band structure, phonon spectrum and electron-phonon coupling strength in MgB2 film, and studied the effect of tension of MgB2 film on its superconductivity. It is shown that the softening of E2g phonon frequency, enchancement of the electron-phonon coupling and the phonon logarithm average frequency with contraction of the lattice constant along c-axis and elongation along a-axis resulted in the increase of superconducting transition temperature Tc. Our results are in good agreement with corresponding experiment. |
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| Keywords: | superconductivity electronic band structure phonon frequency electron-phonon coupling |
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