Chalcogen-Height Dependent Magnetic Interactions and Magnetic Order Switching in FeSexTe1-x
Chalcogen-Height Dependent Magnetic Interactions and Magnetic Order Switching in FeSexTe1-x
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DOI：
10.1103/physrevlett.104.057003
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发表时间：
2010-02-05
影响因子：
8.6
通讯作者：
Choi, Hyoung Joon
中科院分区：
文献类型：
--
作者：
Moon, Chang-Youn;Choi, Hyoung Joon
使用密度泛函计算研究铁硫族化物超导材料的磁性。我们发现磁相的稳定性对硫族元素距 Fe 平面的高度非常敏感：虽然具有优化 Te 高度的 FeTe 具有双带 (pi, 0) 磁有序性，但当 Te 降低到临界高度以下 e 时，单带 (pi, pi) 有序性变为基态。例如，Se 掺杂。这种行为可以通过超交换相互作用和由流动电子介导的较长范围的磁相互作用的相反 Te 高度依赖性来理解。我们还证明了单带相中宏观磁化率的线性温度依赖性，与双带相中的恒定行为形成对比。我们的研究结果为 FeSexTe1-x 和铁磷化物超导体的磁性提供了全面、统一的观点。
Magnetic properties of iron chalcogenide superconducting materials are investigated using density-functional calculations. We find that the stability of magnetic phases is very sensitive to the height of chalcogen species from the Fe plane: while FeTe with optimized Te height has the double-stripe (pi, 0) magnetic ordering, the single-stripe (pi, pi) ordering becomes the ground state when Te is lowered below a critical height by, e. g., Se doping. This behavior is understood by opposite Te-height dependences of the superexchange interaction and a longer range magnetic interaction mediated by itinerant electrons. We also demonstrate a linear temperature dependence of the macroscopic magnetic susceptibility in the single-stripe phase in contrast with the constant behavior in the double-stripe phase. Our findings provide a comprehensive and unified view on the magnetism in FeSexTe1-x and iron pnictide superconductors.