| 铁基化合物 SrFeAsF以及 Co掺杂超导体SrFe0.875Co0.125AsF的电子结构和磁性 |
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| 引用本文： | 刘甦,李斌,王玮,汪军,刘楣.铁基化合物 SrFeAsF以及 Co掺杂超导体SrFe0.875Co0.125AsF的电子结构和磁性[J].物理学报,2010,59(6):4245-4252. |
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| 作者姓名： | 刘甦 李斌 王玮 汪军 刘楣 |
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| 作者单位： | 东南大学物理系，南京 211198 |
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| 基金项目： | 国家自然科学基金(批准号: 10574021, 10704016)、高等学校博士学科点专项科研基金(批准号: 20060286044)和教育部博士点新教师科研基金(批准号: 20070286036)资助的课题. |
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| 摘 要： | 采用基于密度泛函理论的全势线性缀加平面波方法，计算了 SrFeAsF 和 Co 掺杂超导体 SrFe0875 Co0.125AsF 的电子能带结构和磁性.结果表明，SrFeAsF 的基态构型为条状反铁磁结构，而 SrFe0.875Co0.125AsF 的条状反铁磁构型与棋盘形能量相差非常小，体系处于两种构型转变的临界值附近.由电子能带结构计算表明，Co掺杂引起FeAs杂化能带增宽，增强了d电子的平面巡游性，同时掺杂后
关键词：
铁基超导体
反铁磁序
掺杂
交换相互作用
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| 关 键 词： | 铁基超导体 反铁磁序 掺杂 交换相互作用 |
| 收稿时间： | 2009-07-27 |
Electronic structure and magnetism of SrFeAsF and Co-doped superconductor SrFe0.875Co0.125 AsF |
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| Liu Su,Li Bin,Wang Wei,Wang Jun,Liu Mei.Electronic structure and magnetism of SrFeAsF and Co-doped superconductor SrFe0.875Co0.125 AsF[J].Acta Physica Sinica,2010,59(6):4245-4252. |
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| Authors: | Liu Su Li Bin Wang Wei Wang Jun Liu Mei |
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| Institution: | Department of Physics, Southeast University, Nanjing 211198, China;Department of Physics, Southeast University, Nanjing 211198, China;Department of Physics, Southeast University, Nanjing 211198, China;Department of Physics, Southeast University, Nanjing 211198, China;Department of Physics, Southeast University, Nanjing 211198, China |
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| Abstract: | Using the full-potential linearized augmented plane wave method, we studied the electronic structure and magnetic properties of SrFeAsF and Co-doped superconductor SrFe0.875Co0.125AsF. It is found that SrFeAsF exhibits a stripe antiferromagnetic ground state, and in SrFe0.875Co0.125AsF the checkboard antiferromagnetic state become a competitive candidate. The Co-doping drastically suppresses the antiferromagnetic order, increases the density of states near the Femi level and enhances the itineranly of 3d electrons. These results show that the superconductivity is induced by the magnetic fluctuations in SrFe0.875Co0.125AsF. |
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| Keywords: | iron-based superconductor antiferromagnetic order doping exchange interaction |
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