| 新超导体MgCNi3的虚晶掺杂研究 |
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| 引用本文： | 马 荣,张加宏,杜锦丽,刘 甦,刘 楣.新超导体MgCNi3的虚晶掺杂研究[J].物理学报,2006,55(12):6580-6584. |
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| 作者姓名： | 马 荣 张加宏 杜锦丽 刘 甦 刘 楣 |
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| 作者单位： | 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)资助的课题. |
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| 摘 要： | 用全势线性缀加平面波方法,考虑局域自旋密度近似研究虚晶掺杂MgCNi3的超导电性和磁性.计算了自旋极化能带结构、体弹性模量和它对压力的导数、原子磁矩m及其变化率.计算结果表明，对于电子掺杂的Mg1-xAlxCNi3(0≤x≤0.5)，超导电性和磁涨落随掺杂量的增加逐渐减小.空穴掺杂的Mg1-xNaxCNi3,在x＝0.12处出现铁磁相变，超导电性消失.在MgCNi3少量空穴掺杂区域(0≤x<0.12)，表现为超导与磁涨落共存的不稳定状态.
关键词：
超导电性
能带结构
态密度
磁性
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| 关 键 词： | 超导电性 能带结构 态密度 磁性 |
| 文章编号： | 1000-3290/2006/55(12)/6580-05 |
| 收稿时间： | 04 18 2006 12:00AM |
| 修稿时间： | 8/7/2006 12:00:00 AM |
Virtual-crystal doping study in novel superconductor MgCNi3 |
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| Ma Rong,Zhang Jia-Hong,Du Jin-Li,Liu Su and Liu Mei.Virtual-crystal doping study in novel superconductor MgCNi3[J].Acta Physica Sinica,2006,55(12):6580-6584. |
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| Authors: | Ma Rong Zhang Jia-Hong Du Jin-Li Liu Su and Liu Mei |
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| Institution: | Department of Physics, Southeast University, Nanjing 210096, China |
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| Abstract: | Using full potential linearized augmented plane wave method and considering local spin density approximation, we study superconducting and magnetic properties in virtual-crystal doped MgCNi3. The electronic band structure, bulk modulus and its pressure derivative, magnetic moment and its variation rate are calculated. It is found that: for electron-doped Mg1-xAlxCNi3(0≤x≤0.5), the superconductivity and magnetic fluctuations decrease gradually with increasing doping. For hole-doped Mg1-xNaxCNi3 with x=0.12, a ferromagnetic phase transition occurs and superconductivity disappears. In the hole doping range of 0≤x<0.12, there is the unstable superconducting state with spin fluctuations. |
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| Keywords: | superconductivity band structure density of state magnetism |
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