| 超导体二硼化镁电子结构和掺杂研究 |
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| 引用本文： | 刘洋.超导体二硼化镁电子结构和掺杂研究[J].湖北民族学院学报(哲学社会科学版),2011,29(1). |
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| 作者姓名： | 刘洋 |
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| 作者单位： | 孝感学院化学与材料科学学院,湖北,孝感,432000 |
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| 摘 要： | 利用基于密度泛函理论(DFT)的线性缀加平面波方法(LAPW)对多频带双能隙超导体二硼化镁进行电子结构研究,研究了二硼化镁的电子能带图、态密度(DOS)和电荷密度.对二硼化镁进行电子掺杂和空穴掺杂,分别用铝原子代替镁原子,碳原子代替硼原子,对其能带和电荷密度的改变进行探讨.
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| 关 键 词： | 高温超导体 二硼化镁 电子结构 掺杂 |
Study on the Electronic Structures and Doping of MgB_2 as s Superconductor |
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| LIU Yang.Study on the Electronic Structures and Doping of MgB_2 as s Superconductor[J].Journal of Hubei Institute for Nationalities(Natural Sciences),2011,29(1). |
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| Authors: | LIU Yang |
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| Institution: | LIU Yang (College of Chemistry and Material Science,Xiaogan University,Xiaogan 432000,China) |
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| Abstract: | The work is based on the density functional theory,linear augmented plane-wave method.We study the electronic structure of two superconducting energy gap magnesium diboride.During the calculation of electron-doped and hole doping in MgB2,we use aluminum atoms to replace Mg atoms,carbon atoms instead of boron atoms,and discuss the change of the band and charge density. |
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| Keywords: | high temperature superconductor MgB2 electronic structure doping |
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