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| Zn掺杂对MgB2电子结构及超导转变温度的影响 | |
| 引用本文： | 李燕峰,徐慧,宋招权,夏庆林,程仕平.Zn掺杂对MgB2电子结构及超导转变温度的影响[J].中南大学学报(自然科学版),2006,37(5):925-931. |
| 作者姓名： | 李燕峰 徐慧 宋招权 夏庆林 程仕平 |
| 作者单位： | 1. 中南大学,物理科学与技术学院,湖南,长沙,410083;中南大学,材料科学与工程学院,湖南,长沙,410083 2. 中南大学,物理科学与技术学院,湖南,长沙,410083 3. 中南大学,材料科学与工程学院,湖南,长沙,410083 |
| 基金项目： | 高等学校博士学科点专项科研项目 |
| 摘 要： | 建立Zn掺杂含量不同的6个MgB2模型Mg1-xZnxB2（x=0,1/18,1/16,1/12,1/8,1/6）,对模型进行参数优化,分析Zn掺杂对MgB2几何构型的影响;计算纯MgB2和x为1/6,1/8,1/12时掺杂模型的能带结构和态密度,对得到的结果进行分析和处理,并指出Zn掺杂时MgB2超导临界转变温度Tc变化的大致规律.根据强耦合BCS理论的Mc-Millan公式,推导第一性原理计算公式,计算Zn掺杂MgB2的超导临界转变温度Tc. |
| 关 键 词： | Zn掺杂 第一性原理 电子结构 超导温度 |
| 文章编号： | 1672-7207(2006)05-0925-07 |
| 收稿时间： | 2006-01-10 |
| 修稿时间： | 2006年1月10日 |
The effect of Zn doping on the electronic structure and superconductivity temperature of MgB2 |
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| LI Yan-feng,XU Hui,SONG Zhao-quan,XIA Qing-lin,CHENG Shi-ping.The effect of Zn doping on the electronic structure and superconductivity temperature of MgB2[J].Journal of Central South University:Science and Technology,2006,37(5):925-931. | |
| Authors: | LI Yan-feng XU Hui SONG Zhao-quan XIA Qing-lin CHENG Shi-ping |
| Institution: | 1. School of Physical Science and Technology, Central South University, Changsha 410083, China; 2. School of Materials Science and Engineering, Central South University, Changsha 410083, China |
| Abstract: | Six models of MgB_2 with different Zn concentrations,i.e.,Mg_(1-x)Zn_xB_2(x=0,1/18,1/16,1/12,1/8,1/6) were build up,the modules' parameters were optimized,and their effects on the geometry structure were compared before and after doping.The band structure and density of states(DOS) of pure and Zn doping MgB_2 were calculated,the law of superconductive critical transition temperature(T_c) of MgB_2 with Zn doping was gotten.The first principle compute formula was deduced based on the BCS theory and Mc-Millan formula and T_c of the Zn doped MgB_2 were computed. |
| Keywords: | Zn doped the first principle electronic structure superconductivity temperature |
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